Publications
of Krishnan Balasubramanian
719. Arockiaraj, M.; Jency, J.; Maaran, A.; Abraham, J.; Balasubramanian, K. Refined Degree Bond Partitions, Topological Indices, Graph Entropies and Machine-generated Boron NMR Spectral Patterns of Borophene Nanoribbons., J. Mol. Struc. September 1, 2023, 136524, https://www.sciencedirect.com/science/article/abs/pii/S0022286023016149
718. Balasubramanian, K. Matching Polynomial-Based Similarity Matrices and Descriptors for Isomers of Fullerenes. Inorganics 2023, 11, 335. https://doi.org/10.3390/inorganics11080335
717. Arockiaraj, M.; Paul, D.; Clement, J.; Tigga, S.; Jacob, K.; Balasubramanian, K. Novel molecular hybrid geometric-harmonic-Zagreb degree based descriptors and their efficacy in QSPR studies of polycyclic aromatic hydrocarbons SAR and QSAR in Environmental Research, 2023, 569-589. https://doi.org/10.1080/1062936X.2023.2239149
716. Rajan, P.; Balasubramanian, K. ; Chakraborty , T. DFT Investigation of Structural and Optoelectronic Properties of Glassy Chalcogenide CuXY2 (X= Sb, Bi; Y= S, Se, Te) Molecules. J. Phys. D: Appl. Phys. 2023, 56, 405306.
https://iopscience.iop.org/article/10.1088/1361-6463/ace11c/meta
715. Huilgol, M. I.; Sriram, V.; Udupa, H. J.; Balasubramanian, K. Computational studies of toxicity and properties of b-diketones through topological indices and M/NM-polynomials. Computational and Theoretical Chemistry 2023, 1224, 114108.
714. Balasubramanian, K. Recursive Symmetries: Chemically Induced Combinatorics of Colorings of Hyperplanes of an 8-Cube for All Irreducible Representations. Symmetry 2023, 15, 1031. https://doi.org/10.3390/sym15051031
713. Arockiaraj, M.; Jency, J.; Mushtaq, S.; Shalini, A. J.; Balasubramanian, K. Covalent organic frameworks: topological characterizations, spectral patterns and graph entropies Journal of Mathematical Chemistry, 2023, 61, 1633-1664.
712. Balasubramanian, K. Characteristic polynomials, spectral-based Riemann-Zeta functions and entropy indices of n-dimensional hypercubes. Journal of Mathematical Chemistry, 2023, 61, 1570-1591.
711. Balasubramanian, K. ; Davidson, E. R. Rational approximations to pie: transcendental pi and Euler's Constant e
Journal of Mathematical Chemistry, 2023, 61, 1471-1476.
710. Raza, Z.; Arockiaraj, M.; Maaran, A.; Kavitha,S. R. J.; Balasubramanian, K.
Topological entropy characterization, NMR and ESR spectral patterns of coronene-based transition metal organic frameworks. ACS omega 2023, 8 (14), 13371-13383.
709. Govardhan, S.; Roy, S.; Balasubramanian, K.; Prabhu, S.Topological indices and entropies of triangular and rhomboidal tessellations of kekulenes with applications to NMR and ESR spectroscopies
Journal of Mathematical Chemistry, 2023, 61, 1477-1490.
708. Balasubramanian, K. Topological indices, graph spectra, entropies, Laplacians, and matching polynomials of n-dimensional hypercubes. Symmetry 2023, 15 (2), 557 https://doi.org/10.3390/sym15020557
707. Balasubramanian, K.; VM Patil, V. M. QSAR into the New Millennium: Structural, Topological, Quantum, Shape, Electronic and Bio Descriptors for Machine Learning & AI-Honoring Prof. Satya Prakash Gupta
Current Topics in Medicinal Chemistry, May 24, 2023 https://doi.org/10.2174/1568026623666230406102636
706. Balasubramanian,
K. Combinatorial
and quantum techniques for large data sets: hypercubes and halocarbons in Big Data Analytics in Chemoinformatics and
Bioinformatics, Basak, S.C. ;Vračko, M. (Editors), Elsevier,
Amsterdam, Netherlands, 2023,
187-218. ISBN: 978-0-323-85713-0 [PDF]
705.Jacob,
K.; Clement, J.; Arockiaraj, M.; Paul, D.; Balasubramanian, K.Topological characterization and entropy measures of
tetragonal zeolite merlinoites
Journal of Molecular Structure 2023,1277,134786 [PDF]
704.Gurunathan, S.;Yogalakshmi, T.; Balasubramanian, K. Topological characterization of statistically clustered networks for
molecular similarity analysis Journal
of Mathematical Chemistry, 2023, 61 (4), 859-876.
1-18. https://doi.org/10.1007/s10910-022-01438-4
[PDF]
703. Arockiaraj, M.; Fiona,J. C.; Kavitha, S.; Shalini, A. J.;Balasubramanian, K. Topological and Spectral Properties of Wavy Zigzag
Nanoribbons Molecules 2023, 28 (1), 152 [PDF]
702.Paul, D.; Arockiaraj, M.; Tigga, S.; Balasubramanian,
K. Zeolite AST:
Relativistic degree and distance based topological descriptors. Computational
and Theoretical Chemistry 2022, 1218, 113933. [PDF]
701.Balasubramanian, K. Relativistic versus Jahn-Teller effects in tantalum and tungsten clusters
Inorganica Chimica Acta 2022,543,121194 [PDF]
700. Balasubramanian, K.
Orthogonal polynomials through complex matrix graph theory. J
Math Chem 2023, 61,144-165.
https://doi.org/10.1007/s10910-022-01415-x
[PDF]
699. Balasubramanian, K Density Functional and Graph Theory Computations of Vibrational, Electronic
and Topological Properties of Porous Nanographenes.
Journal of Physical Organic Chemistry, 2022, e4435 [PDF]
698. Mushtaq, M.; Arockiaraj, M.; Fiona, J. C.; Jency, J.;Balasubramanian,
K Topological properties, entropies,
stabilities and spectra of armchair versus zigzag coronene-like nanoribbons, Molecular Physics
2022, 120 (17), e2108518 [PDF]
697. Arockiaraj, M.; Jency, J.; Abraham, J.; Ruth
Julie Kavitha, S.; Balasubramanian, K Two-dimensional coronene fractal
structures: topological entropy measures, energetics, NMR and ESR spectroscopic
patterns and existence of isentropic structures. Molecular Physics, p.e2079568. 2022,
[PDF]
696. Rahul, M.P.; Clement, J.; Junias, J. S.;
Arockiaraj, M.; Balasubramanian, K. Degree-based entropies of graphene, graphyne
and graphdiyne using Shannon's approach, Journal
of Molecular Structure 2022,1260,132797[PDF]
695. Balasubramanian, K.; Carbo Dorca, R. Three
Conjectures on Extended Twin Primes and the Existence of Isoboolean and
Singular Primes Inspired by Relativistic Quantum Computing, Journal of Mathematical Chemistry 2022, 60, 1571–1583. DOI: 10.13140/RG.2.2.22432.25600, [PDF]
694.Arockiaraj,M.; Mushtaq,S.; Klavzar,S.; Fiona,J.C.;
Balasubramanian, K. Szeged-like Topological Indices and the Efficacy of the Cut
Method: The Case of Melem Structures, Discrete
Math. Lett. 2022,9,49-56 DOI: 10.47443/dml.2021.s209
[PDF]
693. Amrutha, P.; Bakkyaraj, T.; Balasubramanian, K.;
T. Geetha, T. Decomposition of Induced Representations of Dihedral Groups (Dn)
to Symmetric Groups (Sn): Applications to cyclic nanotubes, Gelfand States,
Tableaus and Spectroscopy, J. Math. Chem. 2022, 60 (4), 733-751. DOI
10.1007/s10910-022-01325-y [PDF]
692. Antony, D.; Balasubramanian, K.; Yadav, R.
Experimental and Computational Studies of Structures, Spectra and Bioactivities
of Phytomediated Selenium-Supported CaO, CuO and ZnO Nanoparticles- Potential
Drugs for Breast Cancer, J. Mol. Structure. 2022, 1263, 133113 [PDF]
691. Arockiaraj, M.; Kavitha, S. R. J..; Klavzar,S.;
Fiaona, J. C.; Balasubramanian, Topological Characterization of
Cycloparaphenylene Series, Polycyclic
Aromatic Compounds. March 13, 2023, 1-23 . https://doi.org/10.1080/10406638.2023.2186442 [PDF]
690. Mushtaq, S.; Arockiaraj, M.; Klavzar,S.; Fiaona,
J. C..; Balasubramanian, K.Comment on Mostar indices of SiO2 nanostructures and
melem chain nanostructures, Int. J.
Qunat. Chem. 2022, 122 (11), e26894 [PDF]
689. Arockiaraj, M.; Paul, D.; Klavzar,S.; Clement,
J.; Tigga,S.; Balasubramanian, K. Relativistic distance based and bond additive
topological descriptors of zeolite RHO materials, Journal of Molecular Structure, 2022, 1250, Part 2,131798:1-14. [PDF]
688. Abraham, J.; Arockiaraj, M.; Jency, J.; Kavitha,
S. R.J.; Balasubramanian, Graph Entropies, Enumeration of Circuits, Walks and
Topological Propertiesof Three Classes of Isoreticular Metal Organic Frameworks, J. Math. Chem. 2022, 60 (4), 695-732. DOI 10.1007/s10910-021-01321-8 [PDF]
687. Balasubramanian, K. Symmetry and Combinatorial
Concepts for Cyclopolyarenes, Nanotubes and 2D-sheets: Enumerations: Isomers,
Structures & Properties Symmetry 2022, 14
(1), 34[PDF]
686. Medha Itagi Huilgol, V. Sriram & Krishnan
Balasubramanian (2021)
Structure-activity relations for antiepileptic drugs through omega polynomials and
topological indices, Molecular Physics,
2022,120 (3),
e1987542:1-24 [PDF]
685. Balasubramanian, K. Symmetry, Combinatorics,
Artificial Intelligence, Music and Spectroscopy. Symmetry 2021, 13,
1850:1-44. [PDF]
684. Kavitha, S.R.J.; Abraham, J., Arockiaraj, M.;
Jency, J.; Balasubramanian, K., 2021.
Topological Characterization and Graph Entropies of Tessellations of Kekulene
Structures: Existence of Isentropic Structures and Applications to
Thermochemistry, Nuclear Magnetic Resonance, and Electron Spin Resonance. The Journal of Physical Chemistry A, 2021, 125(36), 8140-8158. [PDF]
683. Balasubramanian, K.; Ottorino, O.; Cataldo, F.;
Putz, M. V. Combinatorics of chiral and stereo isomers of substituted
nanotubes: applications of Eulerian character indices and comparison with
bondonic formalism, Fullerenes, Nanotubes
and Carbon Nanostructures, 2022, 30
(3) 315-333[PDF]
682. Balasubramanian, K. Combinatorial enumeration of
stereo, chiral and position isomers of polysubstituted halocarbons:
applications to machine learning of proton and 35Cl NMR spectroscopy of
halocarbons. Theor Chem Acc 2021, 140, 58:1-26. [PDF]
681. Arockiaraj, M; Klavzar, S; Kavitha, SRJ; Mushtaq,
S,; Balasubramanian, K. Relativistic structural characterization of molybdenum
and tungsten disulfide materials. Int J Quantum Chem. 2021,121:e26492. [PDF]
680. Rajan, R.S., Shantrinal, A.A., Kumar, K.J.;
Rajalaxmi, TM.; Rajasingh, I.; Balasubramanian, K. Biochemical and phylogenetic
networks-II: X-trees and phylogenetic trees. J Math Chem 2021, 59, 699-718. [PDF]
679. Huilgol, M.I., Divya, B. & Balasubramanian,
K. Distance degree vector and scalar sequences of corona and lexicographic
products of graphs with applications to dynamic NMR and dynamics of nonrigid
molecules and proteins. Theor Chem Acc 2021,140,
25:1-26. https://doi.org/10.1007/s00214-021-02719-y
[PDF]
678. Rajan, R.S., Kumar, K.J., Shantrinal, A.A.;
Rajalaxmi, TM.; Rajasingh, I.; Balasubramanian, K. Biochemical and phylogenetic
networks-I: hypertrees and corona products. J Math Chem 2021, 59, 676-698. [PDF]https://doi.org/10.1007/s10910-020-01194-3
677. Balasubramanian K. Relativistic Quantum Chemical
and Molecular Dynamics Techniques for Medicinal Chemistry of Bioinorganic Compounds.
In: Saxena A.K. (eds) Biophysical and Computational Tools in Drug Discovery.
Topics in Medicinal Chemistry, 2021,
37, 133-193. Springer, Cham. [PDF]
676. Huilgol, M. I.; Sriram, V.; &
Balasubramanian, K. Tensor and Cartesian products for nanotori, nanotubes and
zig-zag polyhex nanotubes and their applications to 13C NMR spectroscopy,
Molecular Physics, 2021, 119:4, [PDF]
675. Balasubramanian, K. Combinatorial enumeration of
relativistic states of actinide dimers. J Math Chem 2021,59, 315-363. [PDF]
674. Arockiaraj, M., Prabhu, S., Arulperumjothi, M. et
al. Correction to: Topological characterization of hexagonal and rectangular
tessellations of kekulenes as traps for toxic heavy metal ions. Theor Chem Acc 2021, 140, 112 [PDF]
673. Balasubramanian Krishnan, Combinatorics, Big
Data, Neural Network & AI for Medicinal Chemistry & Drug Administration
, Letters in Drug Design & Discovery 2021;
18(10) [PDF]
672. Patil M. Vaishali , Narkhede R. Rohan,Masand
Neeraj ,Cheke S. Rameshwar , Balasubramanian Krishnan, Molecular Insights into
Resveratrol and Its Analogs as SARS-CoV-2 (COVID-19) Protease Inhibitors ,
Coronaviruses 2021; 2(11) :
e130921189258. [PDF]
671. Arockiaraj, M., Prabhu, S., Arulperumjothi, M.;
Kavitha, SRJ; Balasubramanian, K Topological characterization of hexagonal and
rectangular tessellations of kekulenes as traps for toxic heavy metal ions.
Theor Chem Acc 2021, 140, 43:1-24. [PDF]
670. Arockiaraj, M., Clement, J., Paul, D.,
Balasubramanian, K. Relativistic Distance Based Topological Descriptors of
Linde Type A Zeolites and Their Doped Structures with Very Heavy Elements
Moolecular Physics 2021, 119 (3),
e1798529 DOI: 10.1080/00268976.2020.1798529 [PDF]
669. Balasubramanian, K.; Ori, O., Cataldo, F.,
Ashrafi, A. R. Face Colorings and Chiral Face Colorings of Icosahedral Giant
Fullerenes: C80 to C240 , Fullerenes,
Nanotubes and Carbon Nanostructures 2021,
29:1, 1-12, DOI: 10.1080/1536383X.2020.1794853.
[PDF]
668. Arockiaraj, M., Clement, J., Paul, D.,
Balasubramanian, K. Quantitative Structural Descriptors of Sodalite Materials , J. Molecular Structure. 2021, 1223, 128766 [PDF]
667. Balasubramanian K. Computational and Artificial
Intelligence Techniques for Drug Discovery & Administration In: Kenakin, T. (Ed.), Comprehensive Pharmacology. 2022, vol. 2, pp. 553–616. Elsevier. https://dx.doi.org/10.1016/
666. Shaik, B., Zafar, T., Balasubramanian, K. and
Gupta, S.P. An Overview of Ovarian Cancer: Molecular Processes Involved and
Development of Target-based Chemotherapeutics. Current topics in medicinal chemistry, 2021, 21(4), 329-346. [PDF]
665. Arockiaraj M, Klavzar S, Mushtaq S,
Balasubramanian K. Topological Characterization of the Full k-Subdivision of a
Family of Partial Cubes and Their Applications to α-Types of Novel
Graphyne and Graphdiyne Materials. Polycyclic
Aromatic Compounds. 2021, 41:9,
1902-1924. [PDF]
664. Nandini, G.K.; Rajan, R.S.; Shantrinal, A.A.;
Rajalaxmi, T.M.; Rajasingh, I.; Balasubramanian, K. Topological and
Thermodynamic Entropy Measures for COVID-19 Pandemic through Graph Theory. Symmetry 2020, 12, 1992. [PDF]
663. Balasubramanian, K. Combinatorics of Supergiant
Fullerenes: Enumeration of Polysubstituted Isomers, Chirality, Nuclear Magnetic
Resonance, Electron Spin Resonance Patterns, and Vibrational Modes from C70 to
C150000. The Journal of Physical
Chemistry A, 2020, 124(49),
10359-10383. [PDF]
662. Arockiaraj M, Kavitha SR, Mushtaq S,
Balasubramanian K. Relativistic topological molecular descriptors of metal
trihalides. Journal of Molecular
Structure. 2020, 1217,128368. [PDF]
661. Balasubramanian, K. Combinatorics of Edge
Symmetry: Chiral and Achiral Edge Colorings of Icosahedral Giant Fullerenes:
C80, C180, and C240 Symmetry 2020, 12, 1308. [PDF]
660. Balasubramanian, K Nonrigid water octamer:
Computations with the 8-cube. J Comput
Chem. 2020; 41: 2469- 2484. [PDF]
https://doi.org/10.1002/jcc.26402
659. Balasubramanian, Krishnan. Enumeration of stereo,
position and chiral isomers of polysubstituted giant fullerenes: applications
to C180 and C240. Fullerenes, Nanotubes
and Carbon Nanostructures, 2020,
28:9, 687-696 [PDF]
658. Balasubramanian K. Topological Peripheral Shapes
and Distance-based Characterization of Fullerenes C20-C720: Existence of
isoperipheral Fullerenes Polycyclic
Aromatic Compounds. 2020 DOI:
10.1080/10406638.2020.1802303 [PDF]
657. Arockiaraj M, Clement J, Tratnik N, Mushtaq S,
Balasubramanian K. Weighted Mostar indices as measures of molecular peripheral
shapes with applications to graphene, graphyne and graphdiyne nanoribbons. SAR and QSAR in Environmental Research. 2020 Mar 3;31(3):187-208. [PDF]
656. Arockiaraj, M., Clement, J. and Balasubramanian,
K., 2020. Topological Properties of
Carbon Nanocones. Polycyclic Aromatic
Compounds, 2020,
40(5),1332-1346. [PDF]
655. Balasubramanian K.TopoChemie-2020 A Fortran 95 Package 95 (Software), A Computational Package
for Computing Topological Indices, Spectral Polynomials, Walks and Distance
Degree Sequences and Combinatorial Generators.
654. Balasubramanian K. Computations of Colorings 7D‐Hypercubes
Hyperplanes for All Irreducible Representations. Journal of Computational Chemistry. 2020, 41(7):653-86. [PDF]
653. Arockiaraj, M., Ruth Julie Kavitha, S.,
Balasubramanian, K., Rajasingh, I. and Clement, J., 2020. Topological Characterization of Coronoid Polycyclic Aromatic
Hydrocarbons. Polycyclic Aromatic
Compounds, 2020, 40(3), 784-802.
[PDF]
652. Balasubramanian K. Enumeration of relativistic
states for superheavy and transactinide dimers in the periodic table. Journal of Mathematical Chemistry. 2020,58(2):458-96. [PDF]
651. Balasubramanian K. Computational combinatorics of
hyperplane colorings of 6D-hypercube for all irreducible representations and
applications. Journal of Mathematical
Chemistry. 2020 Jan
1;58(1):204-72. [PDF]
650. Arockiaraj M, Klavzar S, Mushtaq S,
Balasubramanian K. Topological indices of the subdivision of a family of
partial cubes and computation of SiO2 related structures. Journal of Mathematical Chemistry 2019, 57(7):1868-83. [PDF]
649. Arockiaraj, M., Klavzar, S., Mushtaq, S.
Balasubramanian, K. Distance-based topological indices of nanosheets, nanotubes
and nanotori of SiO2. Journal of
Mathematical Chemistry 2019, 57,
343-369. [PDF]
648. Arockiaraj M, Klavzar S, Clement J, Mushtaq S,
Balasubramanian K. Edge Distance‐based Topological Indices of Strength‐weighted
Graphs and their Application to Coronoid Systems, Carbon Nanocones and SiO2
Nanostructures. Molecular informatics.
2019, 38(11-12):1900039 [PDF]
647. Balasubramanian K, Gupta S.P. Quantum Molecular
Dynamics, Topological, Group Theoretical and Graph Theoretical Studies of
Protein-Protein Interactions. Current
topics in medicinal chemistry 2019,
19(6):426-43. [PDF]
646. Balasubramanian K. Computational multinomial
combinatorics for colorings of 5D-hypercubes for all irreducible
representations and applications. Journal
of Mathematical Chemistry 2019,
57(2):655-89. [PDF]
645. Patil VM, Balasubramanian K, Masand N. Dengue
Virus Polymerase: A Crucial Target for Antiviral Drug Discovery. Viral
Polymerases Structures, Functions and Roles as Antiviral Drug Targets 2019 Jan 1 (pp. 387-428). Academic
Press. [PDF]
644. Gupta SP, Balasubramanian K. Studies on HIV-1
Polymerase and Its Inhibitors. Viral Polymerases Structures, Functions and
Roles as Antiviral Drug Targets 2019
Jan 1 (pp. 155-179). Academic Press. [PDF]
643. Balasubramanian K. Computational enumeration of
colorings of hyperplanes of hypercubes for all irreducible representations and
applications. J. Math. Sci. Model. 2018;1:158-80. [PDF]
642. Balasubramanian K. Mathematical and computational
techniques for drug discovery: promises and developments. Current topics in medicinal chemistry. 2018, 18(32):2774-99. [PDF]
641. Balasubramanian K. Combinatorial multinomial
generators for colorings of 4D-hypercubes and their applications. Journal of Mathematical Chemistry. 2018;56(9):2707-23. [PDF]
640. Balasubramanian K. Combinatorial Enumeration of
Isomers of Superaromatic Polysubstituted Cycloarenes and Coronoid Hydrocarbons
with Applications to NMR. The Journal of
Physical Chemistry A. 2018 Sep
20;122(41):8243-57. [PDF]
639. Balasubramanian K. Relativity and the
Jahn-Teller, Berry pseudorotations of TBP clusters: group theory, spin-orbit
and combinatorial nuclear spin statistics of TBP Desargues-Levi isomerization
graph. Journal of Mathematical Chemistry. 2018
Sep 1;56(8):2194-225. [PDF]
638. Arockiaraj M, Kavitha SR, Balasubramanian K,
Gutman I. Hyper-Wiener and Wiener polarity indices of silicate and oxide
frameworks. Journal of Mathematical
Chemistry. 2018 May
1;56(5):1493-510. [PDF]
637. Balasubramanian K, Patil VM. Quantum molecular
modeling of hepatitis C virus inhibition through non-structural protein 5B
polymerase receptor binding of C5-arylidene rhodanines. Computational biology and chemistry. 2018 Apr 1;73:147-58. [PDF]
636. Balasubramanian K. Nested wreath groups and their
applications to phylogeny in biology and Cayley trees in chemistry and physics.
Journal of Mathematical Chemistry. 2017 Jan 1;55(1):195-222. [PDF]
635. Arockiaraj M, Clement J, Balasubramanian K.
Topological indices and their applications to circumcised donut benzenoid systems,
kekulenes and drugs. Polycyclic Aromatic Compounds. 2017 Dec 28:280-303. [PDF]
634. Arockiaraj M, Kavitha SR, Balasubramanian K, Liu
JB. On certain topological indices of octahedral and icosahedral networks. IET
Control Theory & Applications. 2017
Oct 17;12(2):215-20. [PDF]
633. Balasubramanian K. Quantum Chemical Insights into
Metabolic Inhibition of Cytochrome P450 Enzymes: Piperine, Curcumin, and Metal
Complexes of Curcumin: Promises and Bioavailability p40 in Advances in Studies
on Enzyme Inhibitors as Drugs:, Edited by Gupta, S. P. Nova Science Publishers,
Inc., Hauppauge, NY 2016 ISBN: 978-1-53610-505-6
[PDF]
632. Arockiaraj M, Clement J, Balasubramanian K.
Analytical expressions for topological properties of polycyclic benzenoid
networks. Journal of Chemometrics. 2016
Nov;30(11) 682-97. [PDF]
631. Quadras J, Balasubramanian K, Christy KA.
Analytical expressions for Wiener indices of n-circumscribed peri-condensed
benzenoid graphs. Journal of mathematical chemistry. 2016 Mar 1;54(3):823-843. [PDF]
630. Arockiaraj M, Kavitha SR, Balasubramanian K.
Vertex cut method for degree and distance-based topological indices and its
applications to silicate networks. Journal of Mathematical Chemistry. 2016 Sep 1;54(8):1728-47.
629. Quadras J, Christy KA, Balasubramanian K, Nelson
A, Mahizl AS. Szeged Indices of n-Circumscribed Peri-condensed Benzenoid
Graphs. Journal of Computer and Mathematical Sciences. 2016 Sep;7(9):434-48. [PDF]
628. Balasubramanian K. Combinatorics of Petersen graph
and its compositions for all irreducible representations for Jahn-Teller,
non-rigid molecules and clusters. Journal of Mathematical Chemistry. 2016 Aug 1;54(7):1553-74. [PDF]
627. Balasubramanian K. Quantum chemical insights into
Alzheimers disease: Curcumins chelation with Cu (II), Zn (II), and Pd (II) as a
mechanism for its prevention. International Journal of Quantum Chemistry. 2016 Jul 15;116(14):1107-19. [PDF]
626. Balasubramanian K. Nuclear spin species, spin
statistical weights and rovibronic tunnelling splittings of non-rigid water
hexamer. Molecular Physics. 2016 Jun
17;114(12):1960-73. [PDF]
625. Balasubramanian K. Character tables of
n-dimensional hyperoctahedral groups and their applications. Molecular Physics.
2016, 114(10):1619-33. [PDF]
624. Patil VM, Das S, Balasubramanian K. Quantum
chemical and docking insights into bioavailability enhancement of curcumin by
piperine in pepper. The Journal of Physical Chemistry A. 2016 May 26; 120(20):3643-53. [PDF]
623. Balasubramanian K, C Basak S. Metabolic electron
attachment as a primary mechanism for toxicity potentials of halocarbons.
Current computer-aided drug design. 2016,
Mar 1;12(1):62-72. [PDF]
622. Balasubramanian, K. Combinatorial Multinomial
Generators of Colorings of Hypercubes , Proceedings of International Conference
on Mathematical Computer Engineering ICMCE 2015,
14-15 December, 2015, VIT
University, Chennai, India. ID: ICMCE15_522
621. Jasintha Quadras, Krishnan Balasubramanian , K.
Arputha Christy, S. Sarah Surya Edge-Wiener index of certain n-Circumscribed
Peri-condensed Benzenoid Graphs , Proceedings of International Conference on
Mathematical Computer Engineering ICMCE 2015,
14-15 December, 2015, VIT
University, Chennai, India. ID: ICMCE15_506
620. Balasubramanian, Krishnan, Generalization of the
Harary-Palmer power group theorem to all irreducible representations of object
and color groups- color combinatorial group theory , Journal of Mathematical
Chemistry 2014, 52, 703-728 [PDF]
619. Balasubramanian, K., In Electronic Structure of
Transition Metal Clusters, Actinide Complexes and their Reactivities,
Proceedings of 2012 Condense Phase
& Interfacial Molecular Science Research Meeting, Bolger Conference Center
Potomac MD, October 21-24, 2012; pp
9-12. [PDF]
618. Panchal, Swarnlata, Balasubramanian, Krishnan,
Kulshestra, S. Computational Drug Designing , International Journal of Pharma
and Bio Sciences 2012 July; 3(3): B
202 -208. [PDF]
617. Udayabhaskararao, Thumu; Sun, Yan; Goswami,
Nirmal; Pal, Samir K.; Balasubramanian, K.; Pradeep, Thalappil, Ag7Au6: A
13-Atom Alloy Quantum Cluster , Angewandte Chemie-International Edition, 2012, 51, 2155-2159. [PDF]
616. Qiao, J., Tan, H., Qiu, Y. and Balasubramanian,
K., 2011. Erratum: Investigation of
a binuclear gallium complex with bipolar charge transporting capability for
organic light-emitting diodes [J. Chem. Phys. 124, 024719 (2006)]. The Journal of Chemical Physics, 134(2), p.029901. [PDF]
615. Balasubramanian, K.; Siekhaus, W.; McLean, W.
Computational Modeling of Uranium and Plutonium Hydriding-the role of Surface
Oxide Layers, Oxycarbides, Carbides & Impurities (No. LLNL-CONF-499222).
Lawrence Livermore National Lab.(LLNL), Livermore, CA. 2011 [PDF]
614. Li, Xiang; Zheng, Weijun; Buonaugurio, Angela;
Buytendyk, Allyson; Bowen, Kit; Balasubramanian, Krishnan, Photoelectron
spectroscopy of the molecular anions, ZrO-, HfO-, HfHO-, and HfO2H- , Journal
of Chemical Physics, 2012, 136,
154306 [PDF]
613. Balasubramanian, K., In Electronic Structure of
Transition Metal Clusters, Actinide Complexes and their Reactivities,
Proceedings of 2011 Condense Phase
& Interfacial Molecular Science Research Meeting, Arlie Conference Center
VA, June 12-15, 2011; pp 35-38 [PDF]
612. Qiao, Juan; Tan, Hang; Qiu, Yong;
Balasubramanian, K., Investigation of a binuclear gallium complex with bipolar
charge transporting capability for organic light-emitting diodes (vol 124,
024719, 2006) , Journal of Chemical
Physics, 2011, 134, 029901[PDF]
611. Parsons-Moss, T.; Schwaiger, L. K.; Hubaud, A.;
Hu, Y. J.; Tuysuz, H.; Yang, P.; Balasubramanian, K.; Nitsche, H. Plutonium
complexation by phosphonate-functionalized mesoporous silica , ABSTRACTS OF
PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2011,
241, 48-NUCL, 241st National Meeting and Exposition of the
American-Chemical-Society (ACS)241st National Meeting and Exposition of the
American-Chemical-Society (ACS) MAR 27-31, 2011MAR
27-31, 2011 Amer Chem Soc, Anaheim,
CA WOS:000291982806306 [PDF]
610. Sun, Yan; Balasubramanian, K.; Rao, T. Udaya
Bhaskara; Pradeep, T.; Thumu, First Principles Studies of Two Luminescent
Molecular Quantum Clusters of Silver, Ag-7(H(2)MSA)(7) and Ag-8(H(2)MSA)(8),
Based on Experimental Fluorescence Spectra , Journal of Physical Chemistry C 2011, 115,20380-20387 [PDF]
609. Balasubramanian K. Computational &
mathematical concepts in arts and science. Learning Curve. 2010, (14):23-5. [PDF]
608. Swarnlata Panchal, Balasubramanian, K., Yadav, K.
S.; Khublani, T. K. A Collaborative Research for Computational Drug Modeling
and Computer-aided Drug Design for MDR-Tuberculosis Bacterium and XDR-
Tuberculosis Bacterium , 2010, Jan
3, [PDF]
607. Simeon, Tomekia; Balasubramanian, Krishnan;
Welch, Charles R. Theoretical Study of the Interactions of In+ and In3+ with
Stone-Wales Defect Single-Walled Carbon Nanotubes Journal of Physical Chemistry
Letters 2010, 1, 457-462. [PDF]
606. Schwaiger, Luna Kestrel; Parsons-Moss, Tashi;
Hubaud, Aude; Tueysuez, Harun; Balasubramanian, Krishnan; Yang, Peidong;
Nitsche, Heino, Actinide and lanthanide complexation by organically modified
mesoporous silica , ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 239, 98-NUCL, MAR 21 2010, WOS:000208189303645 [PDF]
605. Singh, D. M. David Jeba; Pradeep, T.;
Thirumoorthy, Krishnan; Balasubramanian, Krishnan, Closed-Cage Tungsten Oxide
Clusters in the Gas Phase , Journal of Physical Chemistry A 2010, 114, 5445-5452.
http://pubs.acs.org/doi/abs/10.1021/jp911922a DOI: 10.1021/jp911922a [PDF]
604. Balasubramanian, K., In Electronic Structure of
Transition Metal Clusters, Actinide Complexes and their Reactivities,
Proceedings of 2009 Condense Phase
& Interfacial Molecular Science Research Meeting, Arlie Conference Center
VA, Oct 18-21, 2009; 13-16 [PDF]
603. Balasubramanian, K. Computational Modeling of
Actinide Complexes Pertinent to Environment. Bulletin of the American Physical
Society, 2009, 54, T36-007. [PDF]
602. Balasubramanian K. Burning questions and their
power to kindle a fire. Learning Curve. 2009,
12, 6-9. [PDF]
601. Cao, Z.; Balasubramanian, K.; Calvert, M. G.;
Nitsche, H. Solvation Effects on Isomeric Preferences of Curium(III) Complexes
with Multidentate phosphonopropionic Acid Ligands: CmH(2)PPA(2+) and CmHPPA(+)
Complexes , Inorganic Chemistry, 2009,
48, 9700-9714. [PDF]
600. Cao, Zhiji; Balasubramanian, K. Theoretical
studies of UO2(OH)(H2O)(n)(+), UO2(OH)(2)(H2O)(n), NpO2(OH)(H2O)(n), and
PuO2(OH)(H2O)(n)(+) (n <= 21) complexes in aqueous solution , Journal of
Chemical Physics, 2009, 131, 164504 [PDF]
599. Balasubramanian, K.; Cao, Zhiji, Spectroscopic
Properties and Potential Energy Surfaces for Curium Hydrides: CmH2, CmH2+, CmH,
and CmH+ ,Journal of Physical ChemistryA 2009,
113, 12512-12524. [PDF]
598. Balasubramanian, K.; Sikehaus, W. J.; McLean, II
W. Uranium Hydriding: Mechanisms, Trends and Influence of Impurities , Uranium
Compounds, Isotopes And Applications, Editor: Gerhardt H. Wolfe, Nova Science
Publishers, New York, 2009; 2nd
Quarter, p71-93 ISBN: 978-1-60692-573-7 [PDF]
597. Balasubramanian, Krishnan, Group theoretical
treatment of Jahn-Teller versus spin-orbit effects on geometries, rovibronic
levels and nuclear spin species of bismuth and antimony clusters , Molecular
Physics, 2009, 107, 797-807. DOI:
10.1080/00268970802649591 [PDF]
596. Benavides-Garcia, Maria G.; Balasubramanian,
Krishnan, Structural Insights into the Binding of Uranyl with Human Serum
Protein Apotransferrin Structure and Spectra of Protein-Uranyl Interactions ,
ACS Chemical Research in Toxicology, 2009,22,1613-1621.
[PDF]
595. Simeon, Tomekia; Balasubramanian, Krishnan;
Leszczynski, Jerzy, New Insights into the Chemical and Electronic Properties of
C(69)M [M = In(-), Tl(-), Sb(+), Bi(+)] Species , Journal of Physical Chemistry
A. 2008, 112, 12179-12186.
DOI:10.1021/jp804718s [PDF]
594. Cao, Zhiji; Balasubramanian, Krishnan, GEOMETRIES
AND ENERGY SEPARATIONS OF ELECTRONIC STATES OF In3N, InN3, AND THEIR IONS ,
Journal of Theoretical & Computational Chemistry, 2008,7, 751-765. DOI: 10.1142/S0219633608004106 [PDF]
593. Balasubramanian, K., In Electronic Structure of
Transition Metal Clusters, Actinide Complexes and their Reactivities,
Proceedings of 2007 Condense Phase
& Interfacial Molecular Science Research Meeting, Arlie Conference Center
VA, Oct 21-24, 2007; pp 110-116 [PDF]
592. Balasubramanian, K.; Chaudhuri, Doyel,
Computational modeling of environmental plutonyl mono-, di- and tricarbonate
complexes with Ca counterions: Structures and spectra: Puo(2)(CO3)(2)(2-),
PuO2(CO3)(2)Ca, and PuO2(CO3)(3)Ca-3 , Chemical Physics Letters 2008, 450,196-202. [PDF]
591. Balasubramanian, K.; Cao, Z. Theoretical studies
on structures of neptunyl carbonates: NPO2(CO3)(m)(H2O)(n)(q-) (m=1-3, n=0-3)
in aqueous solution , Inorganic Chemistry 2007,46,
10510-10519. [PDF]
590. Balasubramanian, K. Rovibronic symmetry and
nuclear spin analysis of octanitrocubane , Chemical Physics Letters, 2007, 441, 29-38. DOI:
10.1016/j.cplett.2007.04.083 [PDF]
589. Suo, BB; Balasubramanian, K. Spectroscopic
constants and potential energy curves of yttrium carbide (YC) , Journal of
Chemical Physics, 2007, 126, 224305.
[PDF]
588. Balasubramanian, K., In Computational Modeling of
Actinide Complexes, AAAS and the Northwest Regional ACS Conference on Chemistry
of Advanced Nuclear Systems, Boise , ID, June 16-21, 2007. [PDF]
587. Balasubramanian, K.; Felter, T. E.; Anklam, T.;
Trelenberg, T. W.; McLean II, W., Atomistic level relativistic quantum
modelling of plutonium hydrogen reaction. Journal of Alloys and Compounds 2007, 444, 447-452, DOI:
10.1016/j.jallcom.2006.11.068 [PDF]
586. Cao, Z.; Balasubramanian, K., Unusual geometries
and spectroscopic properties of electronic states of In2N2. Chemical Physics
Letters 2007, 439, 288-295. [PDF]
585. Chen, G. H.; Balasubramanian, K., Electronic
states and stability of GeC2N radical. Chemical Physics Letters 2007, 438, (4-6), 162-168. [PDF]
584. Balasubramanian, K.; Cao, Z. J., Fluxional
motions and internal rotational barriers of water molecules bound to UO22+,
NpO2+, and PuO22+. Chemical Physics Letters 2007, 433, (4-6), 259-263. [PDF]
583. Balasubramanian, K., In Computational and
Mathematical Concepts in Chemical, Biological and Drug Research, Proceedings of
the First Indo-US Lecture Series, Jan 8, 2007;
p 5. [PDF]
582. Balasubramanian, K., In Recent Applications of
Combinatorics, graph Theory and Informatics to Chemistry and Biology,
Proceedings of the The Fourteenth International Conference of the Forum for
Interdisciplinary Mathematics: The International Conference on Computational,
Mathematical and Statistical Methods (CMASM 2007) Indian Institute of Technology, Madras, Jan 6, 2007. [PDF]
581. Cao, Z. J.; Suo, B. B.; Balasubramanian, K.,
Electronic states and potential energy curves of InN2, In2N, and their ions.
Chemical Physics Letters 2006, 432,
(1-3), 50-56. [PDF]
580. Denis, P. A.; Balasubramanian, K., Spectroscopic
constants and potential energy curves of gallium nitride (GaN) and ions: GaN+
and GaN. Chemical Physics Letters 2006,
423, (1-3), 247-253. [PDF]
579. Denis, P. A.; Balasubramanian, K., Electronic
states and potential energy curves of molybdenum carbide and its ions. Journal
of Chemical Physics 2006, 125, (2),
9. [PDF]
578. Balasubramanian K. Dynamic shaping of harmonics
for simulating and active playing of multiple musical instruments in PC
Advances in Modelling and Analysis B. 49: 39-52.
577. Denis, P. A.; Balasubramanian, K., Multireference
configuration interaction study of the electronic states of ZrC. Journal of
Chemical Physics 2006, 124, (17), 8. [PDF]
576. Qiao, J.; Tan, H.; Qiu, Y.; Balasubramanian, K.,
Investigation of a binuclear gallium complex with bipolar charge transporting
capability for organic light-emitting diodes. Journal of Chemical Physics 2006, 124, (2), 7. [PDF]
575. Balasubramanian, K., Molecular orbital basis for
yellow curry spice curcumins prevention of Alzheimers disease. Journal of
Agricultural and Food Chemistry 2006,
54, (10), 3512-3520. [PDF]
574. Thakur, M.; Thakur, A.; Balasubramanian, K., QSAR
and SAR studies on the reduction of some aromatic nitro compounds by xanthine
oxidase. Journal of Chemical Information and Modeling 2006, 46, (1), 103-110. [PDF]
573. Prabhakar, Y. S.; Balasubramanian, K., A simple
algorithm for unique representation of chemical structures - Cyclic/acyclic
functionalized achiral molecules. Journal of Chemical Information and Modeling 2006, 46, (1), 52-56. [PDF]
572. Balasubramanian, K., Bryan Balazs and William
McLean Relativistic Quantum Modeling of Uranium Hydriding-Trends in Impurities
and actinide complexes. Chemtracts 2006,
19, 66-77. [PDF]
571. Balasubramanian, K.; Khokhani, K.; Basak, S. C.
Complex graph matrix representations and characterizations of proteomic maps
and chemically induced changes to proteomes. Journal of Proteome Research 2006, 5, (5), 1133-1142. [PDF]
570. Balasubramanian, K., In Electronic Structure of
Transition Metal Clusters, Actinide Complexes and their Reactivities,
Proceedings of 2006 Condense Phase
& Interfacial Molecular Science Research Meeting, Arlie Conference Center
VA, Oct 22-25, 2006; pp 38-41. [PDF]
569. Balasubramanian, K., Balazs, B., McLean II, W. In
Relativistic atomistic-level Uranium and Plutonium Corrosion Modeling-Role of
Impurities, Proceedings of the 27th Aging, Compatibility and Stockpile
Stewardship Conference, Los Alamos National laboratory, NM, Sep 25-26 2006.
568. Balasubramanian, K., Relativistic Quantum
Computations of Clusters. In Proceedings of the 46th Sanibel Symposium, St.
Simons, GA, 2006. [PDF]
567. Balasubramanian, K., Felter, T. E.; Anklam, T.;
Trelenberg, W.; McLean II, W. Atomistic Level Relativistic Quantum Modeling of
Plutonium Hydriding. In Plutonium Science-Futures Conference, Pacific Grove CA,
2006. [PDF]
566. Balasubramanian, K., Mathematical Basis of Periodicity
in Atomic and Molecular Spectroscopy. In Mathematics of the Periodic Table,
Rouvray, D. H., R. B. King, Ed. Nova Science Publishers: New York, 2006; pp 189-216. [PDF]
565. Balasubramanian, K.; Electronic and spectroscopic
properties of transiiton metal main group clusters and compounds, Abstracts of
Papers of the American Chemical Society, 2005,
230, U2871-U2871.
564. Balasubramanian, K., In Graph Theory and
High-level Quantum Models for Predictive Toxicology and Graph Algorithms for
Proteomics, Proceedings of the 4th Indo-US workshop on Mathematical Chemistry,
University of Pune, India, Jan 8-12, 2005,
2005; S. C. Basak, I. G., Ed.
University of Pune, India, 2005; pp 21-22.
[PDF]
563. Balasubramanian, K., In Relativity and Chemical
Bonding: Chemistry of heavy to superheavy Elements, Proceedings of the 20th
DUBROVNIK INTERNATIONAL COURSE & CONFERENCE MATH / CHEM / COMP 2005, Dubrovnik, June 20, 2005; Ante Graovac, A.; Pokri, B.,
Vickic-Topic, D., Eds. Dubrovnik, 2005.
[PDF]
562. Lee, J. E.; Choi, W.; Odde, S.; Mhin, B. J.;
Balasubramanian, K., Electron affinity and inversion distortion of
dibenzo-p-dioxin. Chemical Physics Letters 2005,
410, (1-3), 142-146. [PDF]
561. Balasubramanian, K.; Sikehaus, W.; Balazs, B.;
Mclean, II.,W. Computational Modeling of Uranium Corrosion and the role of
Impurities 2005, (Fe, Cr, Al, C and
Si) (No. UCRL-CONF-216838). Lawrence Livermore National Lab.(LLNL), Livermore,
CA. [PDF]
560. Wang, C. S.; Balasubramanian, K., Electronic
states and vibrational frequencies of the triatomic Ga2N, GaN2, and their
cations and anions. Chemical Physics Letters 2005, 402, (4-6), 294-299. [PDF]
559. Balasubramanian, K., Electronic and spectroscopic
properties of transition metal and main group clusters and compounds. Abstracts
of Papers of the American Chemical Society2005,
230, U2871-U2871. [PDF]
558. Cao, Z. J.; Balasubramanian, K., Theoretical
studies of UO22+(H2O)n, NpO22+(H2O)n, and PuO22+(H2O)n complexes (n=4-6) in
aqueous solution and gas phase. Journal of Chemical Physics 2005, 123, (11), 12. [PDF]
557. Balasubramanian, K, Electronic and spectroscopic
properties of transition metal and main group clusters and compounds , ABSTRACTS
OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 230th National Meeting of the
American-Chemical-Society, 2005,
0065-7727, 216-PHYS, Aug 28, 2005,
WOS:000236797 [PDF]
556. Roszak, S.; Gee, R. H.; Balasubramanian, K.;
Fried, L. E., New theoretical insight into the interactions and properties of
formic acid: Development of a quantum-based pair potential for formic acid.
Journal of Chemical Physics 2005,
123, (14), 10. [PDF]
555. Denis, P. A.; Balasubramanian, K., Theoretical
characterization of the low-lying electronic states of NbC. Journal of Chemical
Physics 2005, 123, (5), 9. [PDF]
554. Majumdar, D.; Balasubramanian, K., Theoretical
studies on the electronic structures of UO2(CO3)22- and its metal salts:
M2UO2(CO3)2 (M = Li+, and Na+). Molecular Physics2005, 103, (6-8), 931-938. [PDF]
553. Balasubramanian, K., Computational and
Mathematical Approaches to Fullerenes and Proteomes. Lecture Series on Computer
& Chemical science 2005, 4,
765-767. [PDF]
552. Balasubramanian, K., Relativistic Effects in the
Chemistry of very Heavy and super heavy Molecules. Lecture Series on Computer
& Chemical sciences 2005, 4,
759-764. [PDF]
551. Balasubramanian, K., Preface to Minisymposium on
Mathematical and Computational Approaches to Structure, Dynamics and Biology.
Lecture Series on Computer & Chemical science 2005, 4, 755-756. [PDF]
550. Balasubramanian, K., Cross Fertilization of
Mathematical and Computational Chemistry. In First Meeting of the International
Academy of Mathematical Chemistry-2005,
Bulletin of the International Academy of Mathematical Chemistry: Dubrovnik, 2005; Vol. 1. [PDF]
549. Balasubramanian, K., In Electronic Strcture of
Transition Metal Clusters, Actinide Complexes and their Reactivities,
Proceedings of 2005 Condense Phase
& Interfacial Molecular Science Research Meeting, Washington D. C. ,
October 23-26, 2005, 2005; Dept of Energy, Basic Energy Sciences,
Chemical Sciences: Washington D. C. , 2005;
pp 83-86. [PDF]
548. Balasubramanian, K., W. J. Siekhaus, B. Balazs,
William McLean II In Uranium Corrosion Modeling-Role of C, Fe, cr and Al
Impurities, 26th Compatibility, Aging and Stockpile Stewardship Conference,
Aiken, SC, USA, April 26-28, 2005;
Aiken, SC, USA, 2005; pp 1-6. [PDF]
547. Balasubramanian, K., Siekhaus, W. J.; Balazs, B.;
McLean II, W., In Computational Modeling of Uranium Corrosion and the Role of
Impurities, JOWOG 28 Main Meeting, neveda Site Office, 2005; pp 18-21. [PDF]
546. Basak, S. C.; Mills, D.; Mumtaz, M.;
Balasubramanian, K., Use of Topological Indices in Predicting Arylhydrocarbon
Receptor Binding Affinities of dibenzofurans: A Hierarchical Approach. In
Computational Chemical Dynamics from Gas Phase to Condensed Phase, University
of Minnesota, Poster Session: 2004;
Vol. A14(ii), pp 8-9. [PDF]
545. Balasubramanian, K., Combinatorics of NMR and ESR
spectroscopy of C60H36 isomers. Chemical Physics Letters 2004, 400, (1-3), 78-85. [PDF]
544. Chaudhuri, D.; Balasubramanian, K., Electronic
structure and spectra of plutonyl complexes and their hydrated forms: PuO2CO3
and PuO2CO3.nH2O (n=1,2). Chemical Physics Letters 2004, 399, (1-3), 67-72. [PDF]
543. Balasubramanian, K., Group theory, nuclear spin statistics
and tunneling splittings 1,3,5-triamino-2,4,6-trinitrobenzene. Chemical Physics
Letters 2004, 398, (1-3), 15-21. [PDF]
542. Majumdar, D.; Balasubramanian, K., Theoretical
studies on the nature of uranyl-silicate, uranyl-phosphate and uranyl-arsenate
interactions in the model H2UO2SiO4 • 3H2O, HUO2PO4 • 3H2O, and HUO2AsO4 • 3H2O
molecules. Chemical Physics Letters 2004,
397, (1-3), 26-33. [PDF]
541. Balasubramanian, K., Nuclear spin statistics of
extended aromatic C48N12 azafullerene. Chemical Physics Letters 2004, 391, (1-3), 69-74. [PDF]
540. Balasubramanian, K., Group theoretical analysis
of vibrational modes and rovibronic levels of extended aromatic C48N12
azafullerene. Chemical Physics Letters 2004,
391, (1-3), 64-68. [PDF]
539. Balasubramanian, K., Electronic structure of
actinide complexes in the environment. Abstracts of Papers of the American
Chemical Society 2004, 227, U82-U82.
[PDF]
538. Majumdar, D.; Balasubramanian, K., Theoretical
study of the electronic states of Nb4, Nb5 clusters and their anions (Nb4-,
Nb5-). Journal of Chemical Physics 2004,
121, (9), 4014-4032. [PDF]
537. Balasubramanian, K., Relativistic double group
spinor representations of nonrigid molecules. Journal of Chemical Physics 2004, 120, (12), 5524-5535. [PDF]
536. Zhao, C. Y.; Balasubramanian, K., Spectroscopic
properties of novel aromatic metal clusters: M4Na (M=Al, Ga, In) and their
cations and anions. Journal of Chemical Physics 2004,120, (22), 10501-10512. [PDF]
535. Guo, R.; Balasubramanian, K., Spectroscopic
properties and potential energy curves of low-lying electronic states of RuC.
Journal of Chemical Physics 2004,
120, (16), 7418-7425. [PDF]
534. Gee, R. H.; Roszak, S.; Balasubramanian, K.;
Fried, L. E., Ab initio based force field and molecular dynamics simulations of
crystalline TATB. Journal of Chemical Physics 2004,120, (15), 7059-7066. [PDF]
533. Balasubramanian, K., Nonrigid group theory,
tunneling splittings, and nuclear spin statistics of water pentamer: (H2O)5.
Journal of Physical Chemistry A 2004,
108, (26), 5527-5536. [PDF]
532. Lee, J. E.; Choi, W. Y.; Mhin, B. J.;
Balasubramanian, K., Theoretical study on the reaction of OH radicals with
polychlorinated dibenzo-p-dioxins. Journal of Physical Chemistry A2004, 108, (4), 607-614. [PDF]
531. Andrews, L.; Wang, X. F.; Manceron, L.;
Balasubramanian, K., The gold dihydride molecule, AuH2: Calculations of
structure, stability, and frequencies, and the infrared spectrum in solid
hydrogen. Journal of Physical Chemistry A 2004,
108, (15), 2936-2940. [PDF]
530. Balasubramanian, K., Group representations and
multinomial combinatorics of the icosahedral symmetry. Molecular Physics 2004, 102, (7), 659-679. [PDF]
529. Balasubramanian, K., Number Theory. Journal of
Mathematical Chemistry, 2004, 36,
167. [PDF]
528. Balasubramanian, K, Electronic structure of
actinide complexes in the environment. ABSTRACTS OF PAPERS OF THE AMERICAN
CHEMICAL SOCIETY, 227th ACS National Meeting, 2004, 22 7, 48-NUCL, March 28-April 1, 2004, Annaheim CA. WOS:000223655700397 [PDF]
527. Balasubramanian, K., Multinomial combinatorial
group representations of the octahedral and cubic symmetries. Journal of
Mathematical Chemistry 2004, 35,
(4), 345-365. [PDF]
526. Gute, B. D.; Balasubramanian, K.; Geiss, K. T.;
Basak, S. C., Prediction of halocarbon toxicity from structure: a hierarchical
QSAR approach. Environmental Toxicology and Pharmacology 2004, 16, (1-2), 121-129. [PDF]
525. Balasubramanian, K., In Quantum Chemistry &
Graph Theory Based Methods for Predictive Computational Toxicology, In Vitro
Screens in Drug Metabolism, Wyndham Palace, Lake Bunea Vista, Florida, December
13-14, 2004; Cambridge Health
Institute: Wyndham Palace, Lake Bunea Vista, Florida, 2004. [PDF]
524. Balasubramanian, K., Electronic Strcture of
Transition Metal Clusters, Actinide Complexes and their Reactivities. In
Proceedings of 2004 Condense Phase
& Interfacial Molecular Science Research Meeting, Dept of Energy, Basic
Energy Sciences, Chemical Sciences: 2004;
pp 111-115. [PDF]
523. Balasubramanian, K., Relativity and the Periodic
Table. In Periodic Table into the 21st Century, Rouvray, D. H., R. B. King, Ed.
Research Studies Press: Baldlock, England, 2004;
pp 263-296. [PDF]
522. Balasubramanian, K.; Siekhaus, W.; McLean, W.,
Computational Modeling of Uranium Hydriding and complexes. In Plutionium
Futures Science Conference, American Institute of Physics: 2003; Vol. C673, pp 125-127. [PDF]
521. Roszak, S.; Gee, R. H.; Balasubramanian, K.;
Fried, L. E., Molecular interactions of TATB clusters. Chemical Physics Letters
2003, 374, (3-4), 286-296. [PDF]
520. Majumdar, D.; Roszak, S.; Balasubramanian, K.;
Nitsche, H., Theoretical study of aqueous uranyl carbonate (UO2CO3) and its
hydrated complexes: UO2CO3.nH2O (n = 1 - 3).Chemical Physics Letters 2003, 372, (1-2), 232-241. [PDF]
519. Wheaton, V.; Majumdar, D.; Balasubramanian, K.;
Chauffe, L.; Allen, P. G., A comparative theoretical study of uranyl silicate
complexes. Chemical Physics Letters 2003,
371, (3-4), 349-359. [PDF]
518. Balasubramanian, K.; Siekhaus, W. J.; McLean, W.,
Potential energy surfaces for the uranium hydriding reaction. Journal of
Chemical Physics 2003, 119, (12),
5889-5900. [PDF]
517. Majumdar, D.; Balasubramanian, K., Theoretical
study of the electronic states of niobium trimer (Nb3) and its anion (Nb3-).
Journal of Chemical Physics 2003,
119, (24), 12866-12877. [PDF]
516. Guo, R.; Balasubramanian, K.; Schaefer, H. F., The
treacherous potential energy hypersurface of AgSiO. Journal of Chemical Physics
2003, 118, (23), 10623-10630. [PDF]
515. Guo, R.; Balasubramanian, K., Theoretical study
of the low-lying electronic states of ruthenium trimer (Ru3). Journal of
Chemical Physics 2003, 118, (1),
142-148. [PDF]
514. Balasubramanian, K.; Siekhaus W. J.; McLean, II
W, Computational Modeling of Uranium Hydriding and Complexes , AIP Conf. Proc. 2003, 673, 125. [PDF]
513. Majumdar, D.; Roszak, S.; Balasubramanian, K.,
Electronic structure and spectroscopic properties of electronic states of VC2,
VC2-, and VC2+. Journal of Chemical Physics 2003,118, (1), 130-141. [PDF]
512. Majumdar, D.; Balasubramanian, K., A theoretical
study of potential energy curves and spectroscopic constants of VC. Molecular
Physics 2003, 101, (9), 1369-1376. [PDF]
511. Basak, S. C.; Balasubramanian, K.; Gute, B. D.;
Mills, D.; Gorczynska, A.; Roszak, S., Prediction of cellular toxicity of
halocarbons from computed chemodescriptors: A hierarchical QSAR approach.
Journal of Chemical Information and Computer Sciences 2003, 43, (4), 1103-1109. [PDF]
510. Basak, S. C.; Mills, D.; Mumtaz, M. M.;
Balasubramanian, K., Use of topological indices in predicting aryl hydrocarbon
receptor binding potency of dibenzofurans: A hierarchical QSAR approach. Indian
Journal of Chemistry Section a-Inorganic Bio-Inorganic Physical Theoretical
& Analytical Chemistry 2003, 42,
(6), 1385-1391. [PDF]
509. Balasubramanian, K., Quantum chemistry &
graph theory based methods for predictive computational toxicology. In Third
Indo-US Workshop on Mathematical Chemistry-With Applications to Drug Discovery,
Environmental Toxicology, Cheminformatics and Bioinformatics, Duluth,
Minnesota, USA, 2003. [PDF]
508. Balasubramanian, K., In Relativistic Quantum
Chemsitry of Actinide and superheavy molecular Chemsitry, Third Transactinide
Chemsitry03-TAN03, Napa CA, Nov 16-20, 2003,
2003; Napa CA, 2003. [PDF]
507. Balasubramanian, K, Relativistic computations of
the electronic states of the superheavy element 114 and 114(+) (341, 601, 2001) , Chemical Physics Letters, 2002, 351, 161-62 [PDF]
506. Balasubramanian, K., Spectroscopic properties of
Mo2- and Mo2+. Chemical Physics Letters 2002,
365, (5-6), 413-420. [PDF]
505. Majumdar, D.; Balasubramanian, K.; Nitsche, H., A
comparative theoretical study of bonding in UO2, UO2+,UO2-, UO2+2 the UO2(CO3).
Chemical Physics Letters 2002, 361,
(1-2), 143-151. [PDF]
504. Balasubramanian, K., Electronic states of the superheavy
element 113 and (113)H. Chemical Physics Letters 2002, 361, (5-6), 397-404. [PDF]
503. Balasubramanian, K., Relativistic computations of
the electronic states of the superheavy element 114 and 114(+) (vol 341, pg
601, 2001). Chemical Physics Letters
2002, 351, (1-2), 161-162. [PDF]
502. Balasubramanian, K.; Zhu, X., Spectroscopic
constants and potential energy curves of electronic states of Mo2 and Mo2+.
Journal of Chemical Physics 2002,
117, (10), 4861-4870. [PDF]
501. Balasubramanian, K., Breakdown of the singlet and
triplet nature of electronic states of the superheavy element 114 dihydride
(114H2). Journal of Chemical Physics 2002,
117, (16), 7426-7432. [PDF]
500. Guo, R.; Balasubramanian, K.; Wang, X. F.;
Andrews, L., Infrared vibronic absorption spectrum and spin-orbit calculations
of the upper spin-orbit component of the Au3 ground state. Journal of Chemical
Physics 2002, 117, (4), 1614-1620. [PDF]
499. Zhao, C. Y.; Balasubramanian, K., Geometries and
spectroscopic properties of silicon clusters (Si5, Si5+, Si5-, Si6, Si6+, and
Si6-). Journal of Chemical Physics 2002,
116, (9), 3690-3699. [PDF]
498. Balasubramanian, K., Potential energy surfaces of
Lawrencium and Nobelium dihydrides (LrH2 and NoH2). Journal of Chemical Physics
2002, 116, (9), 3568-3575. [PDF]
497. Zhao, C. Y.; Balasubramanian, K., Spectroscopic
properties of lead hexamer and its ions (Pb6 , Pb6+ and Pb6-). Journal of
Chemical Physics 2002, 116, (23),
10287-10296. [PDF]
496. Roszak, S.; Majumdar, D.; Balasubramanian, K.,
Electronic structure and spectroscopic properties of electronic states of ScC3
and ScC3+. Journal of Chemical Physics 2002,
116, (23), 10238-10246. [PDF]
495. Balasubramanian, K., Combinatorial Enumeration of
Ragas: scales of Integer Sequences of Indian Music. Journal of Integer
Sequences 2002, 5, (A02.2.6), 21. [PDF]
494. Balasubramanian, K., In Relativsitic Computations
of Transition Metal Clusters & Actinide Complexes, World Association of
Theoretically oriented Chemists-WATOC-2002,
Lugano, Switzerland, 6-9 August, 2002;
Lugano, Switzerland, 2002. [PDF]
493. Balasubramanian, K., In High-Level Quantum
Chemistry Methods for Mechanistically Based Predictive Toxicology, EPA-Conference
on Risk Assessment, Cincinnati OH, 2002;
Environmental Protection Agency: Cincinnati OH, 2002. .[PDF]
492. Balasubramanian, K., Relativistic computations of
the electronic states of the superheavy element 114 and 114(+). Chemical
Physics Letters 2001, 341, (5-6),
601-607. .[PDF]
491. Balasubramanian, K.; Zhu, X. L., Spectroscopic
properties of mixed gallium arsenide tetramers: GaAs3 +/-, GaAs3, Ga3As +/-,
and Ga3As. Journal of Chemical Physics 2001,
115, (19), 8858-8867. .[PDF]
490. Balasubramanian, K.; Majumdar, D., Spectroscopic
Properties of Lead Trimer (Pb3 and Pb3+): Potential Energy Surfaces, Spin-Orbit
and Jahn-Teller Effects. Journal of Chemical Physics 2001, 115, (19), 8795-8809. .[PDF]
489. Majumdar, D.; Balasubramanian, K., Theoretical
study of the electronic states of small cationic niobium clusters, Nbn+
(n=3-5). Journal of Chemical Physics 2001,
115, (2), 885-898. [PDF]
488. Zhao, C. Y.; Balasubramanian, K., Geometries and
spectroscopic properties of germanium and tin hexamers Ge6, Sn6, Ge6+, Sn6+,
Ge6-, Sn6-. Journal of Chemical Physics 2001,115,
(7), 3121-3133. .[PDF]
487. Balasubramanian, K.; Zhu, X. L., Spectroscopic
constants and potential energy curves of Nb2, Nb2+, and Nb2-. Journal of
Chemical Physics 2001, 114, (23),
10375-10388. [PDF]
486. Majumdar, D.; Roszak, S.; Balasubramanian, K.,
Interaction of benzene (Bz) with with Pt and Pt2 A theoretical study of Benzene
with Bz-Pt2 Bz2-Pt and Bz2-Pt2 species. Journal of Chemical Physics 2001, 114, (23), 10300-10310. .[PDF]
485. Balasubramanian, K.; Feng, P. Y. Electronic
states of Al3P2, Al3P2-, Al3P2+, Al2P3, Al2P3-, and Al2P3+. Journal of Physical
Chemistry A 2001, 105, (50),
11295-11303.[PDF]
484. Balasubramanian, K. Linear variational
Diophantine techniques in mass balance of chemical reactions. Journal of
Mathematical Chemistry 2001, 30,
(2), 219-225. [PDF]
483. Roszak, S.; Koski, W. S.; Kaufman, J. J.;
Balasubramanian, K. Structures and electron attachment properties of
halomethanes (CXnYm, X=H-F; Y=Cl, Br, I; n=0,4; m=4-n). SAR and QSAR in
Environmental Research 2001, 11,
(5-6), 383-396. [PDF]
482. Balasubramanian, K. In Relativistic Computations
of Clusters of Transition Metal and Superheavy elements, Molecular Quantum
Mechanics: The Right Answer for the Right Reason-International Conference in
honor of Professor Ernest R. Davidson, Seattle, Washington, July 21-26, 2001; Seattle, Washington, 2001. [PDF]
481. Balasubramanian, K., In Integration of Quantum
Chemistry and Graph Theory for Structure Activity Relations and Predictive
Toxicology., 2001 Society for Risk
Analysis Annual Meeting: Risk Analysis in an Interconnected World Seattle, WA,
December 2-5, 2001; Seattle, WA, 2001. [PDF]
480. Balasubramanian, K., In Workshop Report to the
Chemical Sciences Roundtable, Carbon Management: Implications for R & D in
the Chemical Sciences and Technology, Washington, D. C. , 2001; Commission on Physical Sciences, Mathematics, and
Applications, National Academies Press: Washington, D. C. , 2001; 224. [PDF]
479. Feng, P. Y.; Balasubramanian, K., Potential
energy surfaces of electronic states of AlP2, Al2P and their ions. Chemical
Physics Letters 2000, 318, (4-5),
417-426. [PDF]
478. Majumdar, D.; Dai, D. G.; Balasubramanian, K.,
Theoretical study of electronic states of platinum pentamer (Pt5). Journal of
Chemical Physics 2000, 113, (18),
7928-7938. [PDF]
477. Majumdar, D.; Dai, D. G.; Balasubramanian, K.,
Theoretical study of the electronic states of platinum trimer (Pt3). Journal of
Chemical Physics 2000, 113, (18),
7919-7927. [PDF]
476. Balasubramanian, K., Spectroscopic constants and
potential energy curves of tungsten carbide. Journal of Chemical Physics 2000, 112, (17), 7425-7436. [PDF]
475. Dai, D. G.; Roszak, S.; Balasubramanian, K.,
Electronic structures of niobium carbides: NbCn (n=3-8). Journal of Physical
Chemistry A 2000, 104, (43), 9760-9769.
[PDF]
474. Balasubramanian, K., Spectroscopic constants for
GaAs2, GaAs2-, Ga2As, Ga2As-. Journal of Physical Chemistry A 2000, 104, (10), 1969-1973. [PDF]
473. Dai, D. G.; Roszak, S.; Balasubramanian, K.,
Electronic states and potential energy surfaces of NbC2. Journal of Physical
Chemistry A 2000, 104, (24),
5861-5866. [PDF]
472. Feng, P. Y.; Dai, D. G.; Balasubramanian, K.,
Electronic states of Al3As2, Al3As2-, Al3As2+, Al2As3, Al2As3-, and Al2As3+.
Journal of Physical Chemistry A 2000,
104, (2), 422-432. [PDF]
471. Dai, D. G.; Balasubramanian, K., Electronic
states and potential energy surfaces of WC2. Journal of Physical Chemistry A 2000, 104, (6), 1325-1331. [PDF]
470. Basak, S. C.; Grunwald, G. D.; Gute, B. D.;
Balasubramanian, K.; Opitz, D., Use of statistical and neural net approaches in
predicting toxicity of chemicals. Journal of Chemical Information and Computer
Sciences 2000, 40, (4), 885-890. [PDF]
469. Tan, H.; Liao, M. Z.; Wang, Y.; Wu, G. S.;
Balasubramanian, K., A flexible correlation group table (CGT) method for the
relativistic configuration interaction wavefunctions.Journal of Mathematical
Chemistry 2000, 28, (1-3), 213-239. [PDF]
468. Balasubramanian, K., Combining graph theory and quantum
chemistry for predicting property/activity/toxicity. In Second Indo-US workshop
on Mathematical Chemistry-With Applications to Drug Discovery, Environmental
Toxicology, Cheminformatics and Bioinformatics, Duluth, Minnesota, USA, 2000. [PDF]
467. Balasubramanian, K., In Relativistic Effects in
Chemistry, Pitzer Memorial Symposium In Theoretical Chemistry in honor of
Professor Kenneth S. Pitzer, Berkeley, CA, January 9-13, 2000; University of California, Berkeley Berkeley, CA, 2000. [PDF]
466. Balasubramanian, K., In Recent Applications of
Graph Theory and Combinatorics to Fullerene Cages and Clusters, 2000 International Chemical Congress of
Pacific Basin Societies, Honolulu, Hawaii, Dec 14-19, 2000; Pacific Chemical Society and American Chemical Society:
Honolulu, Hawaii, 2000; pp PHYS-870.
[PDF]
465. Basak, S. C.; Opitz, D. W.; Balasubramanian, K.;
Gute, B. D.; Grunwald, G. D., In Use of statistical and neural net methods in
predicting toxicity of chemicals: A hierarchical QSAR approach Predictive
Toxicology of Chemicals: Experiences and Impact of Artificial Intelligence
Tools - Papers from the 1999 AAAI
Symposium, Stanford, CA, March 22-24, 1999,
1999; AAAI Press: Menlo Park, CA:
Stanford, CA, 1999; pp 108-111. [PDF]
464. Dai, D. G.; Balasubramanian, K., Geometries and
energy separations of electronic states of Pd5. Chemical Physics Letters 1999, 310, (3-4), 303-312. [PDF]
463. Dai, D. G.; Roszak, S.; Balasubramanian, K.,
Electronic states of the hafnium trimer (Hf3). Chemical Physics Letters 1999, 308, (5-6), 495-502. [PDF]
462. Feng, P. Y.; Balasubramanian, K., Electronic
states of Al3P and AlP3 and their positive ions. Chemical Physics Letters 1999, 301, (5-6), 458-466. [PDF]
461. Feng, P. Y.; Balasubramanian, K., Spectroscopic
properties of Al2P2, Al2P2+, and Al2P2- and comparison with their Ga and In
analogues. Journal of Physical Chemistry A 1999,103,
(45), 9093-9099. [PDF]
460. Tan, H.; Liao, M. Z.; Dai, D. G.;
Balasubramanian, K., Potential energy surfaces for Tc plus CO, Re plus CO, and
Ta plus CO and periodic trends of the second- and third-row transition metals
interaction with CO. Journal of Physical Chemistry A 1999, 103, (18), 3495-3504. [PDF]
459. Balasubramanian, K.; Latifzadeh-Masoudipour, L.,
Spectroscopic properties and potential energy surfaces of electronic states of
SbCl2, SbCl2+, SbBr2 and SbBr2+. Journal of Physical Chemistry A 1999, 103, (16), 3044-3053. [PDF]
458. Roszak, S.; Majumdar, D.; Balasubramanian, K.,
Theoretical Studies of Structures and Energetics of Benzene Complexes with Nb+
and Nb2+ Cations. Journal of Physical Chemistry A 1999, 103, (29), 5801-5806. [PDF]
457. Balasubramanian, K., In Graph Theory of Fullerene
Cages, Proceedings of One Day Symposium on Applied Mathematical Chemistry:
Molecular Descriptors and Their Applications in
Structure-Property-Activity-Toxicity Relationships, Natural Resources Research
Institute (NRRI), University of Minnesota, Duluth. MN, USA, May 3, 1999 1999; Basak, S. C., M. Randic, Ed. Natural Resources Research
Institute (NRRI), University of Minnesota, Duluth. MN, USA, 1999. [PDF]
456. Balasubramanian, K., Relativistic Effects in
Chemistry. In American Physical Society-Centennial Meeting, American Physical
Society: Atlanta GA, 1999; p
YC18.02. [PDF]
455. Tan, H.; Liao, M. Z.; Dai, D. G.;
Balasubramanian, K., Potential energy surfaces of NbCO. Chemical Physics
Letters 1998, 297, (3-4), 173-180. [PDF]
454. Feng, P. Y.; Liao, M. Z.; Balasubramanian, K.,
Low-lying electronic states of In2As2 and In2As2+ and In2As2-. Chemical Physics
Letters 1998, 296, (3-4), 283-291. [PDF]
453. Tan, H.; Liao, M. Z.; Balasubramanian, K.,
Potential energy surfaces of OsCO. Chemical Physics Letters 1998, 290, (4-6), 458-464. [PDF]
452. Ping, Y. F.; Balasubramanian, K., Electronic
states of Ga3P and GaP3 clusters. Chemical Physics Letters 1998, 288, (1), 1-6. [PDF]
451. Dai, D. G.; Majumder, D.; Balasubramanian, K.,
Theoretical studies of the interaction of butadiene with Rh and Rh2. Chemical
Physics Letters 1998, 287, (1-2),
178-184. [PDF]
450. Tan, H.; Dai, D. G.; Balasubramanian, K.,
Spectroscopic properties and potential energy curves for 15 electronic states
of palladium carbide (PdC). Chemical Physics Letters 1998,286, (5-6), 375-381. [PDF]
449. Feng, P. Y.; Balasubramanian, K., Electronic
states and potential energy curves of In2P, InP2, In2P+, InP2+. Chemical
Physics Letters 1998, 284, (5-6),
313-319. [PDF]
448. Majumdar, D.; Balasubramanian, K., Theoretical
study of the potential energy curves and spectroscopic constants of TaC and
TaC+. Chemical Physics Letters 1998,
284, (3-4), 273-280. [PDF]
447. Tan, H.; Liao, M. Z.; Balasubramanian, K.,
Potential energy surfaces of RuCO. Chemical Physics Letters 1998, 284, (1-2), 1-5. [PDF]
446. Feng, P. Y.; Balasubramanian, K., Electronic states
for the In3P2 and In2P3 clusters. Chemical Physics Letters 1998, 283, (3-4), 167-173. [PDF]
445. Dai, D. G.; Balasubramanian, K., Geometries and
energy separations of the electronic states of Ge5+ and Sn5+. Journal of
Chemical Physics 1998, 108, (11),
4379-4385. [PDF]
444. Majumdar, D.; Balasubramanian, K., Theoretical
study of the electronic states of Rhn+ (n=3-5). Journal of Chemical Physics 1998, 108, (6), 2495-2503. [PDF]
443. Feng, P. Y.; Balasubramanian, K., Electronic
states of In3Sb2, In2Sb3, and their positive ions. Journal of Physical
Chemistry A 1998, 102, (45),
9047-9055. [PDF]
442. Roszak, S.; Balasubramanian, K., Structural and
thermodynamic properties of diyttrium carbides Y2Cn (n=2-8): A theoretical
study. Journal of Physical Chemistry A 1998,
102, (29), 6004-6009. [PDF]
441. Tan, H.; Liao, M. Z.; Balasubramanian, K.,
Electronic states and potential energy curves of zirconium and hafnium carbon
monoxide. Journal of Physical Chemistry A 1998,
102, (9), 1602-1607. [PDF]
440. Tan, H.; Liao, M.; Dai, D. G.; Balasubramanian,
K., Potential energy surfaces for Mo+CO and W+CO. Journal of Physical Chemistry
A 1998, 102, (34), 6801-6806. [PDF]
439. Balasubramanian, K.; Basak, S. C.,
Characterization of isospectral graphs using graph invariants and derived
orthogonal parameters. Journal of Chemical Information and Computer Sciences 1998, 38, (3), 367-373. [PDF]
438. McMurran, J.; Dai, D.; Balasubramanian, K.;
Steffek, C.; Kouvetakis, J.; Hubbard, J. L., H2GaN3 and derivatives: A facile
method to gallium nitride. Inorganic Chemistry 1998, 37, (26), 6638-6644. [PDF]
437. Feng, P. Y.; Wang, Y.; Liao, M. Z.;
Balasubramanian, K., Relativistic Effects on Chemical and Spectra Properties of
Heavy Atom Clusters. Chemistry -Chinese Chemical Society1998, 5, 25-32. [PDF]
436. Balasubramanian, K., In Relativistic Effects in
Chemistry, Second Australian Conference on Physical Chemistry, University of
Brisbane, Queensland, July 10-14, 1998;
University of Brisbane, Queensland, 1998.
[PDF]
435. Balasubramanian, K., Integration of Graph Theory
and Quantum Chemistry. In First Indo-US workshop on Mathematical Chemistry-With
Applications in Molecular Design and Hazard Assessment of Chemicals, Basak, S.
C., Ed. Visva-Bharati University, Santiniketan, West Bengal, India, 1998. [PDF]
434. Balasubramanian, K., Relativistic effective Core
Potentials for very Heavy Molecules. In Enclyclopedia Of Computational Chem,
Schaefer, H. F., Ed. Wiley-Interscience: New York, 1998; p 175. [PDF]
433. Roszak, S.; Balasubramanian, K. Potential Energy
Surfaces for the Ta{sup+} + C{sub m} reaction, Basic Energy Sciences,
Department of Energy, 1997, OTSI: 497654.
[PDF]
432. Tan, H.; Liao, M. Z.; Balasubramanian, K.,
Electronic states and potential energy surfaces of rhodium carbide (RhC).
Chemical Physics Letters 1997, 280,
(5-6), 423-429. [PDF]
431. Tan, H.; Liao, M. Z.; Balasubramanian, K.,
Electronic states and potential energy curves of iridium carbide (IrC).
Chemical Physics Letters 1997, 280,
(3-4), 219-226. [PDF]
430. Majumdar, D.; Balasubramanian, K., Electronic
states of Ta2C+. Chemical Physics Letters 1997,
280, (3-4), 212-218. [PDF]
429. Dingguo Dai and K. Balasubramanian , Group VI
trimers (Se3 , Te3 , and Po3 ). Electronic states and potential energy surfaces
[J. Chem. Phys. 99, 5239 (1993)] ,
Journal of Chemical Physics 1997,
106,10385; doi: 10.1063/1.474132 [PDF]
428. Majumdar, D.; Balasubramanian, K., Theoretical
study of the electronic states of Zr5. Chemical Physics Letters 1997, 279, (5-6), 403-410. [PDF]
427. Dai, D. G.; Balasubramanian, K., Electronic
states of Pb5: Geometries and energy separations. Chemical Physics Letters 1997, 271, (1-3), 118-124. [PDF]
426. LatifzadehMasoudipour, L.; Balasubramanian, K.,
Electronic states and potential energy curves of PI2 and PI2+. Chemical Physics
Letters 1997, 267, (5-6), 545-550. [PDF]
425. Feng, P. Y.; Balasubramanian, K., Electronic
states and potential energy curves of Ga2P, GaP2, and their ions. Chemical
Physics Letters 1997, 265, (1-2),
41-47. [PDF]
424. Roszak, S.; Balasubramanian, K., Theoretical
study of the isomerization of TaCn+ (n=7-13) cations. Chemical Physics Letters 1997, 265, (3-5), 553-560. [PDF]
423. Feng, P. Y.; Balasubramanian, K.,
Nearly-degenerate electronic states for Ga3P2 and Ga2P3. Chemical Physics
Letters 1997, 265, (3-5), 547-552. [PDF]
422. Balasubramanian, K.; Dai, D. G., Electronic
states and potential energy surfaces of the tungsten trimer (W3). Chemical
Physics Letters 1997, 265, (3-5),
538-546. [PDF]
421. Roszak, S.; Balasubramanian, K., Stabilities of
isomers of LaC12+ and LaC13+. Chemical Physics Letters 1997, 264, (1-2), 80-84. [PDF]
420. Balasubramanian, K.; Sun, H. M., Euclidean
inverses for the characterization of three-dimensional molecular structures.
Chemical Physics Letters 1997, 264,
(1-2), 70-79. [PDF]
419. Feng, P. Y.; Balasubramanian, K., Geometries and
energy separations of the electronic states of In2P2. Chemical Physics Letters 1997, 264, (3-4), 449-453. [PDF]
418. Majumdar, D.; Roszak, S.; Balasubramanian, K.,
Theoretical study of the interaction of benzene with Rh+ and Rh2+ cations.
Journal of Chemical Physics 1997,
107, (2), 408-414. [PDF]
417. Majumdar, D.; Balasubramanian, K., Theoretical
studies of CO interaction on Rh3 cluster. Journal of Chemical Physics 1997, 106, (17), 7215-7222. [PDF]
416. Roszak, S.; Koski, W. S.; Kaufman, J. J.;
Balasubramanian, K., Structure and energetics of CF3Cl-, CF3Br-, CF3I- radical
anions. Journal of Chemical Physics 1997,
106, (18), 7709-7713. [PDF]
415. Majumdar, D.; Balasubramanian, K., Theoretical
study of the electronic states of Rh5. Journal of Chemical Physics 1997, 106, (10), 4053-4060. [PDF]
414. Roszak, S.; Balasubramanian, K., Potential energy
surfaces for the Ta+ +C2 reaction. Journal of Chemical Physics 1997, 106, (10), 4008-4012. [PDF]
413. Dai, D. G.; Balasubramanian, K., Group VI trimers
(Se3, Te3 and Po3). Electronic states and potential energy surface-Addition
(vol 99, pg 5239, 1993). Journal of
Chemical Physics1997, 106, (24),
10385-10385. [PDF]
412. Roszak, S.; Balasubramanian, K., Theoretical
investigation of structural and thermodynamic properties of lanthanum carbides
LaCn (n=2-6). Journal of Chemical Physics 1997,
106, (1), 158-164. [PDF]
411. LatifzadehMasoudipour, L.; Balasubramanian, K.,
Geometries and energy separations of electronic states of AsCl2 , AsBr2,
AsCl2+, and AsBr2+ Journal of Chemical Physics 1997,106, (7), 2695-2701. [PDF]
410. Roszak, S.; Balasubramanian, K., Electronic
structure and thermodynamic properties of ScC2. Journal of Physical Chemistry A
1997, 101, (14), 2666-2669. [PDF]
409. Koski, W. S.; Roszak, S.; Kaufman, J. J.;
Balasubramanian, K., Potential toxicity of CF3X halocarbons. In Vitro
Toxicology 1997, 10, (4), 455-457. [PDF]
408. Balasubramanian, K., Electronic Structure of Very
Heavy Clusters. In 9th International Congress of Quantum Chemistry,
International Academy of Quantum Molecular Sciences: Atlanta, Georgia, 1997.
407. Balasubramanian, K., Relativisitc Effects in
Chemistry Part B: Appplications. John Wiley & Sons: New York, 1997; p 527. [PDF]
406. Balasubramanian, K., Relativistic Effects in
Chemistry: Part A Theory & Techniques. John Wiley & Sons: New York, 1997; p 301. [PDF]
405. Dai, D.; Balasubramanian, K., Electronic states
of Rh4. Chemical Physics Letters 1996,
263, (5), 703-709. [PDF]
404. Majumdar, D.; Balasubramanian, K., A theoretical
study of the curves for Ta+CO interaction. Chemical Physics Letters 1996, 262, (3-4), 263-268. [PDF]
403. LatifzadehMasoudipour, L.; Balasubramanian, K.,
Electronic states and potential energy curves of SbF2 and SbF2+. Chemical
Physics Letters 1996, 262, (5),
553-558. [PDF]
402. Balasubramanian, K., Double group of the
icosahedral group (Ih) and its application to fullerenes. Chemical Physics
Letters 1996, 260, (3-4), 476-484. [PDF]
401. Latifzadeh, L.; Balasubramanian, K., Electronic
states of PBr2 and PBr2+. Chemical Physics Letters 1996, 258, (3-4), 393-399. [PDF]
400. Feng, P. Y.; Balasubramanian, K., Electronic
states of Ga2P2. Chemical Physics Letters 1996,
258, (3-4), 387-392. [PDF]
399. Latifzadeh, L.; Balasubramanian, K., Electronic
states of the diatomic antimony fluoride (SbF). Chemical Physics Letters 1996, 257, (3-4), 257-264. [PDF]
398. Roszak, S.; Balasubramanian, K., Electronic
structure and thermodynamic properties of YIrC and YIrC2. Chemical Physics
Letters 1996, 254, (3-4), 274-280. [PDF]
397. Latifzadeh, L.; Balasubramanian, K.,
Spectroscopic constants and potential energy curves of AsF. Chemical Physics
Letters 1996, 250, (2), 171-177. [PDF]
396. Dai, D. G.; Liao, M. Z.; Balasubramanian, K.,
Sixteen electronic states of the iridium trimer (Ir3). Chemical Physics Letters
1996, 249, (1-2), 141-148. [PDF]
395. Kaufman, J. J.; Koski, W. S.; Roszak, S.;
Balasubramanian, K., Correlation between energetics and toxicities of
single-carbon halides. Chemical Physics 1996,
204, (2-3), 233-237. [PDF]
394. Dai, D. G.; Balasubramanian, K., Geometries and
energy separations of 28 electronic states of Ge5. Journal of Chemical Physics 1996, 105, (14), 5901-5906. [PDF]
393. Dai, D. G.; Roszak, S.; Balasubramanian, K.,
Theoretical study of potential energy surfaces for interactions of Pd2 with CO.
Journal of Chemical Physics 1996,
104, (4), 1471-1476. [PDF]
392. Roszak, S.; Balasubramanian, K., Theoretical
study of structural and thermodynamic properties of yttrium carbides, YCn
(n=2-6). Journal of Physical Chemistry 1996,
100, (20), 8254-8259. [PDF]
391. Roszak, S.; Balasubramanian, K., Electronic
structure and thermodynamic properties of LaC2. Journal of Physical Chemistry 1996, 100, (27), 11255-11259. [PDF]
390. Dai, D. G.; Balasubramanian, K., Geometries and energy
separations of 24 electronic states of Sn5. Journal of Physical Chemistry 1996, 100, (50), 19321-19325. [PDF]
389. Balasubramanian, K., In Relativity and Chemical
Bonding, American Conference on Theoretical Chemistry, Park City, Utah, July
21-25, 1996; Park City, Utah, 1996.
388. Dai, D. G.; Balasubramanian, K., Potential energy
surfaces for the Ga2As+Cl etching reaction. Chemical Physics Letters 1995, 247, (4-6), 373-378. [PDF]
387. Roszak, S.; Balasubramanian, K.,
Theoretical-Study of Structure and Thermodynamic Properties of YC2. Chemical
Physics Letters 1995, 246, (1-2),
20-25. [PDF]
386. Dai, D. G.; Xu, H.; Balasubramanian, K.,
Electronic States of GeCl+. Chemical Physics Letters 1995, 245, (4-5), 503-508. [PDF]
385. Latifzadeh, L.; Balasubramanian, K.,
Spectroscopic Constants and Potential-Energy Curves of PF. Chemical Physics
Letters 1995, 243, (3-4), 243-249. [PDF]
384. Latifzadeh, L.; Balasubramanian, K., Electronic
States of PCl2 and PCl2+. Chemical Physics Letters 1995, 241, (1-2), 13-20. [PDF]
383. Liao, M. Z.; Dai, D. G.; Balasubramanian, K.,
Electronic States of the Ga3As2 and Ga2As3 Clusters. Chemical Physics Letters 1995, 239, (1-3), 124-130. [PDF]
382. Balasubramanian, K., A Topological Analysis of the
C60 Buckminsterfullerene and C70 Based on Distance Matrices. Chemical Physics
Letters 1995, 239, (1-3), 117-123. [PDF]
381. Dai, D. G.; Balasubramanian, K., Ionization Energies
of YN (N=1-4). Chemical Physics Letters 1995,
238, (1-3), 203-207. [PDF]
380. Xu, H.; Balasubramanian, K., Spectroscopic
Constants and Potential-Energy Curves of GeF+. Chemical Physics Letters 1995, 237, (1-2), 7-13. [PDF]
379. Balasubramanian, K., Enumeration of Chiral and
Achiral Edge and Face Substitutions of Buckminsterfullerene. Chemical Physics
Letters 1995, 237, (3-4), 229-238. [PDF]
378. Latifzadeh, L.; Balasubramanian, K., Electronic
States of AsF2 and AsF2+ Chemical Physics Letters 1995, 237, (3-4), 222-228. [PDF]
377. Balasubramanian, K., Graph-Theoretical Perception
of Molecular Symmetry (Vol 232, Pg 415, 1995).
Chemical Physics Letters 1995, 235,
(3-4), 394-394. [PDF] https://www.sciencedirect.com/science/article/pii/000926149500189B?via%3Dihub
376. Balasubramanian, K., Geometry-Dependent
Connectivity Indexes for the Characterization of Molecular-Structures. Chemical
Physics Letters 1995, 235, (5-6),
580-586. [PDF]
375. Roszak, S.; Balasubramanian, K.,
Theoretical-Study of the Interaction of Benzene with Platinum Atom and Cation.
Chemical Physics Letters 1995, 234,
(1-3), 101-106. [PDF]
374. Balasubramanian, K., Graph-Theoretical Perception
of Molecular Symmetry. Chemical Physics Letters 1995, 232, (5-6), 415-423. [PDF]
373. Dai, D. G.; Balasubramanian, K., Spectroscopic
Properties of PtN. Journal of Molecular Spectroscopy 1995, 172, (2), 421-429. [PDF]
372. Balasubramanian, K.; Xu, H., Spectroscopic
Properties and Potential-Energy Curves of SnF+. Journal of Molecular
Spectroscopy 1995, 171, (2),
555-564. [PDF]
371. Balasubramanian, K., Computer Perception of NMR
Symmetry. Journal of Magnetic Resonance Series A 1995, 112, (2), 182-190. [PDF]
370. Dai, D. G.; Balasubramanian, K.,
Electronic-Structures of Pd4 and Pt4. Journal of Chemical Physics 1995, 103, (2), 648-655. [PDF]
369. Roszak, S.; Balasubramanian, K., A
Theoretical-Study of Bridged Vs Atop Interactions of Pt2 with CO. Journal of
Chemical Physics 1995, 103, (3),
1043-1049. [PDF]
368. Dal, D. G.; Liao, D. W.; Balasubramanian, K.,
Potential-Energy Surfaces for Pt3 + H2 and Pd3 + H2 Systems. Journal of
Chemical Physics 1995, 102, (19),
7530-7539. [PDF]
367. Jung, K. Y.; Steimle, T. C.; Dai, D.;
Balasubramanian, K., Experimental-Determination of Dipole-Moments, Hyperfine
Interactions, and Ab-Initio Predictions for PtN. Journal of Chemical Physics 1995, 102, (2), 643-652. [PDF]
366. Roszak, S.; Balasubramanian, K.,
Theoretical-Study of the Diels-Alder Reactions of Zirconium Dimer with Ethylene
and Butadiene. Journal of Physical Chemistry 1995, 99, (11), 3487-3492. [PDF]
365. Balasubramanian, K., Distance Spectra and
Distance Polynomials of Fullerenes. Journal of Physical Chemistry 1995, 99, (27), 10785-10796. [PDF]
364. Balasubramanian, K., Laplacians of Fullerenes
(C42-C90). Journal of Physical Chemistry 1995,
99, (17), 6509-6518. [PDF]
363. Roszak, S.; Chojnacki, H.; Balasubramanian, K.,
On Symmetry-Concerted Organometallic Analogs of the Ethylene Dimerization. Acta
Physica Polonica A 1995, 87, (6),
965-969. [PDF]
362. Balasubramanian, K., Computation of Spanning Tree
Generators of Fullerenes. Molecular Physics 1995, 85, (2), 335-348. [PDF]
361. Balasubramanian, K., Computational Strategies for
the Generation of Equivalence Classes of Hadamard-Matrices. Journal of Chemical
Information and Computer Sciences 1995,35,
(3), 581-589. [PDF]
360. Balasubramanian, K., Computer-Generation of
Nuclear Equivalence Classes Based on the 3-Dimensional Molecular-Structure.
Journal of Chemical Information and Computer Sciences 1995, 35, (2), 243-250. [PDF]
359. Balasubramanian, K., Computer Perception of
Molecular Symmetry. Journal of Chemical Information and Computer Sciences 1995, 35, (4), 761-770. [PDF]
358. Balasubramanian, K., Combinatorics and
Spectroscopy. In Chemical Group Theory. Techniques and Applications, Bonchev,
D., Rouvray, D. H., Ed. Gordon and Breach Publications: Amstedam, 1995; 4, 37-70. [PDF]
357. Roszak, S.; Balasubramanian, K., Reaction of the
Copper Dimer with Ethylene - a Theoretical-Study. Chemical Physics Letters 1994, 231, (1), 18-24. [PDF]
356. Dai, D. G.; Balasubramanian, K., 12 Electronic
States and Potential-Energy Surface of Zr3. Chemical Physics Letters 1994, 231, (4-6), 352-358. [PDF]
355. Latifzadeh, L.; Balasubramanian, K., Electronic
States of PF2 and PF2+. Chemical Physics Letters 1994, 228, (4-5), 463-470. [PDF]
354. Balasubramanian, K., Laplacian Polynomials of Fullerenes
(C20-C40). Chemical Physics Letters 1994,
224, (3-4), 325-332. [PDF]
353. Dai, D.; Balasubramanian, K., Spectroscopic
Constants and Potential-Energy Curves of SnF. Chemical Physics Letters 1994, 224, (5-6), 425-431. [PDF]
352. Manoharan, M.; Balakrishnarajan, M. M.;
Venuvanalingam, P.; Balasubramanian, K., Topological Resonance Energy Predictions
of the Stability of Fullerene Clusters. Chemical Physics Letters 1994, 222, (1-2), 95-100. [PDF]
351. Liao, D. W.; Balasubramanian, K., Spectroscopic
Constants and Potential-Energy Curves for GeF. Journal of Molecular
Spectroscopy 1994, 163, (1),
284-290. [PDF]
350. Dai, D. G.; Balasubramanian, K., Potential-Energy
Surfaces for Rh-CO, Rh-OC, Ir-Co, and Ir-OC Interactions. Journal of Chemical
Physics 1994, 101, (3), 2148-2156. [PDF]
349. Roszak, S.; Kaufman, J. J.; Koski, W. S.; Vijayakumar,
M.; Balasubramanian, K., Potential-Energy Curves of Ground and Excited-States
of Tetra Halomethanes and the Negative-Ions. Journal of Chemical Physics 1994, 101, (4), 2978-2985. [PDF]
348. Dai, D.; Balasubramanian, K., Pt3Au and PtAu
Clusters - Electronic States and Potential-Energy Surfaces. Journal of Chemical
Physics 1994, 100, (6), 4401-4407. [PDF]
347. Benavidesgarcia, M.; Balasubramanian, K.,
Bond-Energies, Ionization-Potentials, and the Singlet-Triplet Energy
Separations of SnCl2, SnBr2, SnI2, PbCl2, PbBr2, PbI2 and Their Positive-Ions.
Journal of Chemical Physics 1994,
100, (4), 2821-2830. [PDF]
346. Dai, D. G.; Alzahrani, M. M.; Balasubramanian,
K., Geometries and Energy Separations of Electronic States of GeF2, SnF2, PbF2
and Their Positive-Ions. Journal of Physical Chemistry 1994, 98, (37), 9233-9241. [PDF]
345. Balasubramanian, K., Computer-Generation of
Automorphism-Groups of Weighted Graphs. Journal of Chemical Information and Computer
Sciences 1994, 34, (5), 1146-1150. [PDF]
344. Balasubramanian, K., Are There Signed Cospectral
Graphs. Journal of Chemical Information and Computer Sciences 1994, 34, (5), 1103-1104. [PDF]
343. Balasubramanian, K., Computational Techniques for
the Automorphism Groups of Graphs. Journal of Chemical Information and Computer
Sciences 1994, 34, (3), 621-626. [PDF]
342. Balasubramanian, K., Exhaustive Generation and
Analytical Expressions of Matching Polynomials of Fullerenes C20-C50. Journal
of Chemical Information and Computer Sciences1994, 34, (2), 421-427. [PDF]
341. Roszak, S.; Balasubramanian, K., Organometallic
Analogs of the Diels-Alder Reaction - Molybdenum Dimer Plus Ethylene -
Molybdenum Dimer Plus Butadiene. Inorganic Chemistry 1994, 33, (18), 4169-4172. [PDF]
340. Roszak, S.; Balasubramanian, K., Unresolved
Mathematical Problems in the Representation of Potential-Energy Surfaces by
Many-Body Potentials. Journal of Mathematical Chemistry 1994, 16, (1-2), 217-220. [PDF]
339. Balasubramanian, K., Integration of Graph Theory and
Quantum Chemistry for Structure-Activity Relations. SAR and QSAR in
Environmental Research 1994, 2,
59-77. [PDF]
338. Balasubramanian, K., Potential Energy Surfaces
for the Insertion of Third Row Transition Metal Atoms (Hf-Pt) into H2. In
Advances in Metal and Semi-Conductor Clusters, Duncan, M., Ed. JAI: NJ, 1994; Vol. 2, pp 115-136. [PDF]
337. Balasubramanian, K., Relativistic Effects and
Electronic Structure of Lanthanide and Actinide Molecules. In Handbook on the
Physics and Chemistry of Rare Earths, Eyring, L., Ed. Elsevier Science
Publishers: Amsterdam, 1994; pp
29-158. [PDF]
336. Vijayakumar, M.; Roszak, S.; Balasubramanian, K.,
An Efficient Relativistic Multireference Configuration-Interaction Method.
Chemical Physics Letters 1993, 215,
(1-3), 87-92. [PDF]
335. Roszak, S.; Balasubramanian, K.; Kaufman, J. J.;
Koski, W. S., Multireference Configuration-Interaction Study of Temporary Anion
States in Haloforms. Chemical Physics Letters1993, 215, (5), 427-432. [PDF]
334. Balasubramanian, K.; Feng, P. Y.,
Potential-Energy Curves for Electron-Beam Excitation of RbXe+ Excimer. Chemical
Physics Letters 1993, 214, (1),
85-90. [PDF]
333. Liao, D. W.; Balasubramanian, K., Germanium
Monochloride (GeCl) - Spectroscopic Constants and Potential-Energy Curves.
Chemical Physics Letters 1993, 213,
(1-2), 174-180. [PDF]
332. Roszak, S.; Balasubramanian, K., 1st-Principle
Interatomic Potentials for the Carbon-Monoxide Platinum Reaction. Chemical
Physics Letters 1993, 212, (1-2),
150-154. [PDF]
331. Balasubramanian, K., Topological Characterization
of five C78 Fullerene Isomers (Erratum: Vol 206, Pg 210, 1993). Chemical Physics Letters 1993, 211, (6), 649-649. [PDF]
330. Benavidesgarcia, M.; Balasubramanian, K.,
Spectroscopic Constants and Potential-Energy Curves of PbBr. Chemical Physics
Letters 1993, 211, (6), 631-636. [PDF]
329. Balasubramanian, K., Molecular-Orbitals and
Hadamard-Matrices. Chemical Physics Letters 1993, 210, (1-3), 216-222. [PDF]
328. Balasubramanian, K., ESR Hyperfine Patterns for
the Radicals Derived from C60 and C70. Chemical Physics Letters 1993, 210, (1-3), 153-158. [PDF]
327. Roszak, S.; Vijayakumar, M.; Balasubramanian, K.;
Koski, W. S., A Multireference Configuration-Interaction Study of
Photoelectron-Spectra of Carbon Tetrahalides. Chemical Physics Letters 1993, 208, (3-4), 225-231. [PDF]
326. Balasubramanian, K., Spectra of Matching
Polynomials. Chemical Physics Letters 1993,
208, (3-4), 219-224. [PDF]
325. Balasubramanian, K., Characteristic-Polynomials
of Fullerene Cages - Reply. Chemical Physics Letters 1993, 206, (5-6), 586-587. [PDF]
324. Balasubramanian, K., Topological Characterization
of Five C78 Fullerene Isomers. Chemical Physics Letters 1993, 206, (1-4), 210-216. [PDF]
323. Balasubramanian, K., Spin-Orbit Effects in
Transition-Metal Compounds. Abstracts of Papers of the American Chemical
Society 1993, 205, 7-PHYS. [PDF]
322. Balasubramanian, K., Energy Separations for the
Electronic States of PH2-, PH2 and PH2+. Chemical Physics Letters 1993, 204, (5-6), 601-607. [PDF]
321. Balasubramanian, K., Nuclear-Spin Multiplets for
the Dodecahedral N20 Cluster. Chemical Physics Letters 1993, 202, (3-4), 271-277. [PDF]
320. Balasubramanian, K., Enumeration of Isomers of
Substituted Fullerene Cages C20-C50. Chemical Physics Letters 1993, 202, (5), 399-405. [PDF]
319. Balasubramanian, K., Matching Polynomials of
Fullerene Clusters. Chemical Physics Letters 1993, 201, (1-4), 306-314. [PDF]
318. Liao, D. W.; Balasubramanian, K., Spectroscopic
Constants and Potential-Energy Curves for GeBr. Journal of Molecular
Spectroscopy 1993, 162, (2),
498-504. [PDF]
317. Benavidesgarcia, M.; Balasubramanian, K.,
Spectroscopic Constants and Potential-Energy Curves of PbI. Journal of
Molecular Spectroscopy 1993, 161,
(2), 552-559. [PDF]
316. Dai, D. G.; Balasubramanian, K., Spectroscopic
Properties and Potential-Energy Curves for 21 Electronic States of CrH. Journal
of Molecular Spectroscopy 1993, 161,
(2), 455-465. [PDF]
315. Balasubramanian, K.; Andrae, D.; Dolg, M.; Stoll,
H.; Preuss, H., Comparison of Spectroscopic Constants of OsH from Different
Ab-Initio Calculations. Journal of Molecular Spectroscopy 1993, 160, (2), 585-589. [PDF]
314. Dai, D. G.; Balasubramanian, K., Spectroscopic
Properties and Potential-Energy Curves for 30 Electronic States of ReH. Journal
of Molecular Spectroscopy 1993, 158,
(2), 455-467. [PDF]
313. Balasubramanian, K., Nuclear-Spin Statistics of
the Tetravalent C28-Fullerene and Its Derivatives. Journal of Molecular
Spectroscopy 1993, 157, (1),
254-260. [PDF]
312. Balusubramanian, K., Spectroscopic Constants and
Potential Energy Curves of SnBr. Journal of Molecular Spectroscopy 1993, 157, (1), 268-270. [PDF]
311. Balasubramanian, K.; Dai, D. G., Group-VI Trimers
(Se3, Te3 and Po3) - Electronic States and Potential-Energy Surfaces. Journal
of Chemical Physics 1993, 99, (7),
5239-5250. [PDF]
310. Dai, D. G.; Balasubramanian, K., Electronic
States of GaX2 and GaX3 (X = Cl, Br, and I. Journal of Chemical Physics 1993, 99, (1), 293-301. [PDF]
309. Fletcher, D. A.; Dai, D.; Steimle, T. C.;
Balasubramanian, K., The Permanent Electric-Dipole Moment of NbN. Journal of
Chemical Physics 1993, 99, (11),
9324-9325. [PDF]
308. Dai, D. G.; Balasubramanian, K., Electronic
States of Yn(n=2-4). Journal of Chemical Physics 1993, 98, (9), 7098-7106. [PDF]
307. Zhang, H. X.; Balasubramanian, K., Spectroscopic
Constants and Potential-Energy Curves for 15 Electronic States of Ag2. Journal
of Chemical Physics 1993, 98, (9),
7092-7097. [PDF]
306. Balasubramanian, K.; Chung, Y.; Glausinger, W.
S., Geometries and Bond Energies of PHn and PHn+ (n=1-3). Journal of Chemical
Physics 1993, 98, (11), 8859-8869. [PDF]
305. Zhang, H. X.; Balasubramanian, K., Analytical
Expressions for the Moments and Characteristic-Polynomials of Fullerenes
Containing Isolated Pentagons. Journal of Physical Chemistry 1993, 97, (40), 10341-10345. [PDF]
304. Roszak, S.; Balasubramanian, K., Potential-Energy
Curves for Pt-CO Interactions. Journal of Physical Chemistry 1993, 97, (43), 11238-11241. [PDF]
303. Balasubramanian, K., Nuclear-Spin Statistics of
Fullerene Cages (C20-C40). Journal of Physical Chemistry 1993, 97, (18), 4647-4658. [PDF]
302. Balasubramanian, K., Enumeration of Chiral and
Positional Isomers of Substituted Fullerene Cages (C20-C70). Journal of
Physical Chemistry 1993, 97, (27),
6990-6998. [PDF]
301. Balasubramanian, K., Nuclear-Spin Statistics of
Larger Fullerene Cages (C50, C70, C76, and C84). Journal of Physical Chemistry 1993, 97, (34), 8736-8744. [PDF]
300. Balasubramanian, K., Imminant Polynomials of
Graphs. Theoretica Chimica Acta 1993,
85, (5), 379-390. [PDF]
299. Balasubramanian, K., The Effects of Relativity in
Atoms, Molecules and the Solid State American Scientist 1993, 81, 386-387. [PDF]
298. Balasubramanian, K., Nuclear-Spin Multiplets for
five 13C78 Fullerene Isomers. Molecular Physics 1993, 80, (3), 655-669. [PDF]
297. Zhang, H. X.; Balasubramanian, K., Spectral
Moments of Fullerene Cages. Molecular Physics 1993, 79, (4), 727-745. [PDF]
296. Balasubramanian, K., Characterization of
Hadamard-Matrices. Molecular Physics 1993,
78, (5), 1309-1329. [PDF]
295. Balasubramanian, K.; Spin-orbit effects in
transition metal compounds, American Chemical Society national meeting, Denver,
CO (United States), 28 Mar - 2 Apr 1993;
PBD: 1993; Related Information: Is
Part Of 205th ACS national meeting; PB: 1951 p. CONF-930304-TRN:
93:003688-1058. Spin-orbit effects in transition metal compounds (Conference) |
OSTI.GOV [PDF]
294. Razinger, M.; Balasubramanian, K.; Perdih, M.;
Munk, M. E., Stereoisomer Generation in Computer-Enhanced Structure
Elucidation. Journal of Chemical Information and Computer Sciences 1993, 33, (6), 812-825. [PDF]
293. Razinger, M.; Balasubramanian, K.; Munk, M. E.,
Graph Automorphism Perception Algorithms in Computer-Enhanced Structure
Elucidation. Journal of Chemical Information and Computer Sciences 1993, 33, (2), 197-201. [PDF]
292. Balasubramanian, K., Computer-Generation of
Hadamard-Matrices. Journal of Computational Chemistry 1993, 14, (5), 603-619. [PDF]
291. Balasubramanian, K., Generalization of Debruijn
Extension of Polya Theorem to All Characters. Journal of Mathematical Chemistry
1993, 14, (2), 113-120. [PDF]
290. Zhang, H. X.; Balasubramanian, K., Moments and Characteristic-Polynomials
for Square Lattice Graphs. Journal of Mathematical Chemistry 1993, 12, (1-4), 219-234. [PDF]
289. Balasubramanian, K., Graph Theoretical
Characterization of Fullerene Cages. Journal of Polycyclic Aromatic Compounds 1993, 3, 247-259. [PDF]
288. Balasubramanian, K., In Topological and
Mathematical Properties of Fullerene Cages, 5th International Conference on
Mathematical and Computational Chemistry, Kansas City, MO, May 17-21, 1993; Dias, J. R., Ed. International
Society for Mathematical Chemistry: Kansas City, MO, 1993. [PDF]
287. Balasubramanian, K., Comment on Nuclear Spin
Weights of 12C60 and 13C60 Buckminsterfullerene. Chemical Physics Letters 1992, 200, (6), 649-650. [PDF]
286. Balasubramanian, K., Characteristic-Polynomials
of Fullerene Cages. Chemical Physics Letters 1992, 198, (6), 577-586. [PDF]
285. Balasubramanian, K., NMR and ESR Predictions for
the Tetravalent C28 Fullerene. Chemical Physics Letters 1992, 197, (1-2), 55-58. [PDF]
284. Dai, D.; Balasubramanian, K., High-Spin
Electronic States of the Rhodium Trimer (Rh3). Chemical Physics Letters 1992, 195, (2-3), 207-213. [PDF]
283. Balasubramanian, K.; Das, K. K.; Liao, D. W.,
Spectroscopic Constants and Potential-Energy Curves for Hg2. Chemical Physics
Letters 1992, 195, (5-6), 487-493. [PDF]
282. Kim, G. B.; Balasubramanian, K., Spectroscopic
Properties and Potential-Energy Curves of GaCl. Chemical Physics Letters 1992, 193, (1-3), 109-114. [PDF]
281. Dai, D.; Sumathi, K.; Balasubramanian, K., Eight
Electronic States and Potential-Energy Surfaces of Ge3. Chemical Physics Letters
1992, 193, (4), 251-257. [PDF]
280. Dai, D.; Balasubramanian, K., Electronic States
of Zr4. Chemical Physics Letters 1992,
193, (6), 565-572. [PDF]
279. Dai, D. G.; Huang, A. P.; Balasubramanian, K.,
Spectroscopic Constants and Potential-Energy Curves for 18 Electronic States of
IrH+. Journal of Molecular Spectroscopy 1992,154,
(2), 345-354. [PDF]
278. Kim, G. B.; Balasubramanian, K., Spectroscopic
Constants and Potential-Energy Curves of GaBr. Journal of Molecular
Spectroscopy 1992, 152, (1),
192-198. [PDF]
277. Zhang, H. X.; Balasubramanian, K.,
Electronic-Structure of the Group-V Tetramers (P4-Bi4). Journal of Chemical
Physics 1992, 97, (5), 3437-3444. [PDF]
276. Benavidesgarcia, M.; Balasubramanian, K., The
Singlet Triplet Energy Separations of GeCl2, GeBr2, GeI2, GeHCl, GeHBr and
GeHI. Journal of Chemical Physics 1992,
97, (10), 7537-7544. [PDF]
275. Vijayakumar, M.; Balasubramanian, K., Electronic
States of Thallium Clusters and Their Positive-Ions [Tln,Tln+ (n=2-5)]. Journal
of Chemical Physics 1992, 97, (10),
7474-7488. [PDF]
274. Liao, D. W.; Balasubramanian, K.,
Electronic-Structure of Cu6, Ag6, Au6, and Their Positive-Ions. Journal of
Chemical Physics 1992, 97, (4),
2548-2552. [PDF]
273. Roszak, S.; Kaufman, J. J.; Koski, W. S.;
Barreto, R. D.; Fehlner, T. P.; Balasubramanian, K., Experimental and
Theoretical-Studies of Photoelectron-Spectra of Oxetane and Some of Its Halogenated
Methyl-Derivatives. Journal of Physical Chemistry 1992, 96, (18), 7226-7230. [PDF]
272. Dai, D.; Balasubramanian, K., Electronic-Structure
and Potential-Energy Surfaces of Positive-Ions of Group-IV Tetramers
(Ge4+-Pb4+). Journal of Physical Chemistry 1992,
96, (23), 9236-9243. [PDF]
271. Dai, D. G.; Balasubramanian, K.,
Electronic-Structure of Group-IV Tetramers (Si4-Pb4). Journal of Chemical
Physics 1992, 96, (11), 8345-8353. [PDF]
270. Liao, D. W.; Balasubramanian, K.,
Electronic-Structure of the III-V Tetramer Clusters and Their Positive-Ions.
Journal of Chemical Physics 1992,
96, (12), 8938-8947. [PDF]
269. Balasubramanian, K.; Feng, P. Y.,
Potential-Energy Surfaces for Pd2+H and Ni2+H Interactions. Journal of Chemical
Physics 1992, 96, (4), 2881-2888. [PDF]
268. Zhang, H. X.; Balasubramanian, K., Potential-Energy
Surfaces for Insertion of Ni+, Pd+, and Pt+ into H2. Journal of Physical
Chemistry 1992, 96, (17), 6981-6985.
[PDF]
267. Dai, D. G.; Balasubramanian, K., Potential-Energy
Surfaces for Pt3+H and Pd3+H Interactions. Journal of Physical Chemistry 1992, 96, (8), 3279-3282. [PDF]
266. Dai, D.; Balasubramanian, K., Potential-Energy
Surfaces for OsH2. Theoretica Chimica Acta 1992,
83, (1-2), 141-154. [PDF]
265. Balasubramanian, K., Combinatorics of NMR and ESR
Spectral Simulations. Journal of Chemical Information and Computer Sciences 1992, 32, (4), 296-298. [PDF]
264. Balasubramanian, K., Combinatorics of Cluster
Enumeration. Journal of Chemical Information and Computer Sciences 1992, 32, (1), 47-54. [PDF]
263. Balasubramanian, K., Combinatorics of Cluster and
Isomer Enumeration. Abstracts of Papers of the American Chemical Society 1991, 202, 28-COMP.
262. Balasubramanian, K., Combinatorics of NMR and ESR
Spectral Simulations. Abstracts of Papers of the American Chemical Society 1991, 202, 1-COMP. [PDF]
261. Balasubramanian, K.; Das, K. K., Excited
Electronic States of Au3. Chemical Physics Letters 1991, 186, (6), 577-582. [PDF]
260. Balasubramanian, K.; Correction: Applications of
Combinatorics and Graph Theory to Spectroscopy and Quantum Chemistry Chemical
Reviews 1991, 91, 259-259. [PDF]
259. Dai, D.; Balasubramanian, K., Potential-Energy
Surfaces for the Insertion of Os+ into H2. Chemical Physics Letters 1991, 185, (1-2), 165-171. [PDF]
258. Dai, D. G.; Das, K. K.; Balasubramanian, K.,
Electronic States of Pd3+. Chemical Physics Letters 1991, 184, (5-6), 589-595. [PDF]
257. Balasubramanian, K., Nuclear-Spin Statistics of
C60, C60H60 and C60D60. Chemical Physics Letters 1991, 183, (3-4), 292-296. [PDF]
256. Balasubramanian, K., Enumeration of Isomers of
Polysubstituted C60 and Application to NMR. Chemical Physics Letters 1991, 182, (3-4), 257-262. [PDF]
255. Ma, Z. X.; Balasubramanian, K., Electronic States
of WH. Chemical Physics Letters 1991,
181, (5), 467-473. [PDF]
254. Das, K. K.; Balasubramanian, K.,
Electron-Affinities of Ag4 and Au4. Chemical Physics Letters 1991, 176, (6), 571-574. [PDF]
253. Benavidesgarcia, M.; Balasubramanian, K.,
Spectroscopic Constants and Potential-Energy Curves for OsH. Journal of
Molecular Spectroscopy 1991, 150,
(1), 271-279. [PDF]
252. Cheng, W.; Balasubramanian, K., Spectroscopic
Constants and Potential-Energy Curves for TaH. Journal of Molecular
Spectroscopy 1991, 149, (1), 99-108.
[PDF]
251. Das, K. K.; Balasubramanian, K., Electronic
States and Potential-Energy Curves of ZrH+ and NbH+. Journal of Molecular
Spectroscopy 1991, 148, (1),
250-261. [PDF]
250. Das, K. K.; Balasubramanian, K., Spectroscopic
Constants and Potential-Energy Curves of RhH+. Journal of Molecular
Spectroscopy 1991, 147, (1),
114-119. [PDF]
249. Balasubramanian, K.; Das, K. K., Spectroscopic
Constants and Potential-Energy Curves of HfH. Journal of Molecular Spectroscopy
1991, 145, (1), 142-150. [PDF]
248. Balasubramanian, K.; Sumathi, K.; Dai, D. G., Group-V
Trimers and Their Positive-Ions - the Electronic-Structure and Potential-Energy
Surfaces. Journal of Chemical Physics1991,
95, (5), 3494-3505. [PDF]
247. Balasubramanian, K.; Liao, D. W., Spectroscopic
Constants and Potential-Energy Curves of Bi2 and Bi2+. Journal of Chemical
Physics 1991, 95, (5), 3064-3073. [PDF]
246. Das, K. K.; Balasubramanian, K., Potential-Energy
Surfaces for RhH2+. Journal of Physical Chemistry 1991, 95, (18), 6880-6883. [PDF]
245. Dai, D. G.; Balasubramanian, K., Potential-Energy
Surfaces for the Insertion of Re and Re+ into H2. Journal of Chemical Physics 1991, 95, (6), 4284-4295. [PDF]
244. Balasubramanian, K.; Tao, J. X.; Liao, D. W., Model-Calculations
for Halogen-Etching of GaAs and InSb - Potential-Energy Surfaces for GaAs+Cl,
GaAs+Br, InSb+Cl, and InSb+Br Reactions. Journal of Chemical Physics 1991, 95, (7), 4905-4913. [PDF]
243. Balasubramanian, K.; Ma, Z., Potential-Energy
Surfaces for the Insertion of W into H2 and W+ into H2. Journal of Physical
Chemistry 1991, 95, (24), 9794-9800.
[PDF]
242. Das, K. K.; Balasubramanian, K., Potential-Energy
Surfaces for Insertion of Hf Atoms into H2. Journal of Physical Chemistry 1991, 95, (10), 3979-3984. [PDF]
241. Das, K. K.; Balasubramanian, K., Electronic
States and Potential-Energy Surfaces of LaH2. Journal of Physical Chemistry 1991, 95, (1), 42-46. [PDF]
240. Balasubramanian, K., Group-Theory and
Nuclear-Spin Statistics of Weakly-Bound (H2O)N, (NH3)N, (CH4)N, and NH4+(NH3)N.
Journal of Chemical Physics 1991,
95, (11), 8273-8286. [PDF]
239. Dai, D. G.; Cheng, W.; Balasubramanian, K.,
Potential-Energy Surfaces for the Insertion of Ta and Ta+ into H2. Journal of
Chemical Physics 1991, 95, (12),
9094-9105. [PDF]
238. Das, K. K.; Balasubramanian, K., Electronic
States of Ru2. Journal of Chemical Physics 1991,
95, (4), 2568-2571. [PDF]
237. Balasubramanian, K.; Feng, P. Y., Electronic
States of Ga4 and In4. Journal of Chemical Physics 1991, 94, (10), 6664-6669. [PDF]
236. Das, K. K.; Balasubramanian, K., Geometries and
Potential-Energy Curves of Insb2, SbIn2, GaAs2, AsGa2, and Their Ions. Journal
of Chemical Physics 1991, 94, (10),
6620-6631. [PDF]
235. Das, K. K.; Balasubramanian, K., Potential-Energy
Surfaces of LaH+ and LaH2+. Journal of Chemical Physics 1991, 94, (5), 3722-3729. [PDF]
234. Balasubramanian, K., Potential-Energy Surfaces
for the Pt2 + H2 Reaction. Journal of Chemical Physics 1991, 94, (2), 1253-1263. [PDF]
233. Balasubramanian, K.; Tao, J. X., Electronic
States, Ionization-Potentials, and Bond-Energies of TlHn, InHn, TlHn+, and
InHn+ (n=1-3). Journal of Chemical Physics 1991,
94, (4), 3000-3010. [PDF]
232. Balasubramanian, K.; Das, K. K., Electronic
States of Cu4+, Ag4+, Au4+-Interpretation of the Optical Spectra of Cu4+.
Journal of Chemical Physics 1991,
94, (4), 2923-2927. [PDF]
231. Balasubramanian, K.; Liao, D. W., Is Au6 a
Circular Ring. Journal of Chemical Physics 1991,
94, (7), 5233-5236. [PDF]
230. Balasubramanian, K., Spectroscopic properties and
potential energy curves for heavy p-block diatomic hydrides, halides, and
chalconides [Erratum to document cited in CA111(26):239649r]. Chemical Reviews 1991, 91, (2), 259-259. [PDF]
229. Balasubramanian, K., Combinatorial Methods in ESR
Spectroscopy. Journal of Magnetic Resonance 1991, 91, (1), 45-56. [PDF]
228. Balasubramanian, K.; Christiansen, P. A.; Pitzer,
K. S., Relativistic Effects in Bonding and Dipole-Moments for the Diatomic
Hydrides of the 6th-Row Heavy-Elements - Comment.Physical Review A 1991, 43, (5), 2581-2582. [PDF]
227. Balasubramanian, K., Theoretical Calculations on
the Transition Energies of the UV-Visible Spectra of Curcumin Pigment in
Turmeric. Indian Journal of Chemistry Section a-Inorganic Bio-Inorganic
Physical Theoretical & Analytical Chemistry 1991, 30, (1), 61-65. [PDF]
226. Dai, D. G.; Balasubramanian, K., Spectroscopic
Constants and Potential-Energy Curves of IrH. New Journal of Chemistry 1991, 15, (10-11), 721-726. [PDF]
225. Balasubramanian, K., Comments on the
Characteristic Polynomial of a Graph. Journal of Computational Chemistry 1991, 12, (2), 248-253. [PDF]
224. Balasubramanian, K., Computer Enumeration of Walks
on Directed-Graphs. Journal of Computational Chemistry 1991, 12, (1), 106-112. [PDF]
223. Balasubramanian, K., Graph-Theory and the PPP
Method. Journal of Mathematical Chemistry 1991,
7, (1-4), 353-362. [PDF]
222. Balasubramanian, K., Relativistic Quantum
Chemistry of Molecules Containing Very Heavy Atoms. In VIIth International
Congress on Quantum Chemistry, International Academy of Quantum Molecular
Sciences: Menton France, 1991.
221. Balasubramanian, K., Electronic Structure of
Transition Metal Clusters and their Reactivities. In Gordon Research Conference
on Metals & Semiconductor Clusters Gordon Research Conference: Brewster
Academy, Wolfboro NH, 1991.
220. Balasubramanian, K., On Transversals in Latin
Squares. Lin. Alg. Appl. 1990, 131,
125-129. [PDF]
219. Balasubramanian, K., Spectral Moments and Walks
for Large Carbon Cage Clusters. Chemical Physics Letters 1990, 175, (3), 273-278. [PDF]
218. Das, K. K.; Balasubramanian, K., Spectroscopic
Constants and Potential-Energy Curves of Electronic States of LaH. Chemical
Physics Letters 1990, 172, (5),
372-378. [PDF]
217. Balasubramanian, K. Electronic states of GaAs and
GaAs+ [J. Chem. Phys. 87, 3410 (1987)]
, J. Chem. Phys. 1990, 92, 213
http://dx.doi.org/10.1063/1.458002 [PDF]
216. Balasubramanian, K., Electronic-Structure of
(GaAs)2. Chemical Physics Letters 1990,
171, (1-2), 58-62. [PDF]
215. Balasubramanian, K., Geometry Dependent
Characteristic-Polynomials of Molecular-Structures. Chemical Physics Letters 1990, 169, (3), 224-228. [PDF]
214. Das, K. K.; Balasubramanian, K., Spectroscopic
Properties and Potential-Energy Curves of 28 Electronic States of NbH. Journal
of Molecular Spectroscopy 1990, 144,
(2), 245-256. [PDF]
213. Das, K. K.; Balasubramanian, K., Spectroscopic
Constants and Potential-Energy Curves of GeH+. Journal of Molecular
Spectroscopy 1990, 143, (2),
195-202. [PDF]
212. Balasubramanian, K.; Wang, J. Z., Spectroscopic
Constants and Potential-Energy Curves of 21 Electronic States of RuH. Chemical
Physics 1990, 140, (2), 243-253. [PDF]
211. Das, K. K.; Balasubramanian, K., Spectroscopic
Properties of Low-Lying Electronic States of Au2. Journal of Molecular
Spectroscopy 1990, 140, (2),
280-294. [PDF]
210. Balasubramanian, K., Spectroscopic Constants and
Potential-Energy Curves of GaAs, GaAs+ and GaAs-. Journal of Molecular
Spectroscopy 1990, 139, (2),
405-423. [PDF]
209. Balasubramanian, K., Spectroscopic Constants and
Potential-Energy Curves of Ga2, Ga2+ and Ga2-. Journal of Physical Chemistry 1990, 94, (20), 7764-7768. [PDF]
208. Balasubramanian, K.; Das, K. K., Binding-Energies
and Ionization-Potentials of the Tetramers of Cu, Ag, and Au - Comments.
Journal of Physical Chemistry 1990,
94, (21), 8379-8380. [PDF]
207. Balasubramanian, K.; Li, J. Q., Spectroscopic Properties
and Potential-Energy Curves of MoH and MoH+. Journal of Physical Chemistry 1990, 94, (11), 4415-4419. [PDF]
206. Li, J. Q.; Balasubramanian, K., Potential Energy
Surfaces for the Mo + H2 Reaction - Collinear Versus Perpendicular Collisions.
Journal of Physical Chemistry 1990,
94, (2), 545-552. [PDF]
205. Balasubramanian, K.; Feng, P. Y., Geometries and
Energy Separations of Low-Lying Electronic States of Ag4 and Cu4. Journal of
Physical Chemistry 1990, 94, (4),
1536-1544. [PDF]
204. Balasubramanian, K., Spectroscopic Constants and
Potential-Energy Curves for InH and InH+. Journal of Physical Chemistry 1990, 94, (17), 6582-6588. [PDF]
203. Das, K. K.; Balasubramanian, K., Geometries and
Energies of GeHn and GeHn+ (n=1-4). Journal of Chemical Physics 1990, 93, (8), 5883-5889. [PDF]
202. Das, K. K.; Balasubramanian, K., Geometries and
Energy Separations of Low-Lying States of YNH and NYH. Journal of Chemical
Physics 1990, 93, (9), 6671-6675. [PDF]
201. Wang, L. S.; Lee, Y. T.; Shirley, D. A.;
Balasubramanian, K.; Feng, P., Photoelectron-Spectroscopy and
Electronic-Structure of Clusters of the Group-V Elements .1. Dimers.Journal of
Chemical Physics 1990, 93, (9),
6310-6317. [PDF]
200. Balasubramanian, K.; Dai, D. G., Potential-Energy
Surfaces for Ir + H2 and Ir+ + H2 Reactions. Journal of Chemical Physics 1990, 93, (10), 7243-7255. [PDF]
199. Das, K. K.; Balasubramanian, K., Potential-Energy
Surfaces of 8 Low-Lying Electronic States of Rh3. Journal of
Chemical Physics 1990, 93, (1),
625-632. [PDF]
198. Balasubramanian, K., Spectroscopic Constants and Potential-Energy
Curves of 47 Electronic States of InSb, InSb+, and InSb-.
Journal of Chemical Physics 1990,
93, (1), 507-519. [PDF]
197. Balasubramanian, K., Is N = 4 a Magic Number for
Hen+ - Comment. Journal of Chemical Physics 1990, 93, (11), 8403-8404. [PDF]
196. Balasubramanian, K., The Low-Lying States of the
2nd-Row Transition-Metal Hydrides (YH-CdH). Journal of Chemical Physics 1990, 93, (11), 8061-8072. [PDF]
195. Dai, D. G.; Balasubramanian, K., Geometries and
Energies of Electronic States of AsH3, SbH3, BiH3 and Their Positive Ion.
Journal of Chemical Physics 1990,
93, (3), 1837-1846. [PDF]
194. Knight, L. B.; Cobranchi, S. T.; Herlong, J.;
Kirk, T.; Balasubramanian, K.; Das, K. K., Laser Vaporization Rare-Gas
Matrix-Isolation Electron-Spin-Resonance Studies of PdH2+, PdD2+, PdH, and PdD
- Theoretical Investigation of PdH2+. Journal of Chemical Physics 1990, 92, (5), 2721-2732. [PDF]
193. Balasubramanian, K.; Ravimohan, C., Spectroscopic
Properties of 34 Electronic States of Zirconium Dimer (Zr2). Journal of
Chemical Physics 1990, 92, (6),
3659-3667. [PDF]
192. Sumathi, K.; Balasubramanian, K., Electronic
States and Potential Energy Surfaces of H2Te, H2Po and Their Positive-Ions.
Journal of Chemical Physics 1990,
92, (11), 6604-6619. [PDF]
191. Das, K. K.; Balasubramanian, K., Potential-Energy
Surfaces for Tc+ + H2 and Ru+ + H2 Reactions. Journal of Chemical Physics 1990, 92, (11), 6697-6709. [PDF]
190. Balasubramanian, K.; Feng, P. Y.,
Potential-Energy Surfaces for Pt2 + H and Pt + H Interactions. Journal of
Chemical Physics 1990, 92, (1),
541-550. [PDF]
189. Balasubramanian, K., Erratum: Electronic states
of GaAs and GaAs+ [J. Chem. Phys. 87, 3410 (1987)]. Journal of Chemical Physics 1990, 92, (3), 2123-2123. [PDF]
188. Lai-Sheng, W.; Niu, B.; Lee, Y. T.; Shirley, D.
A.; Balasubramanian, K., Photoelectron spectroscopy and electronic structure of
heavy group IV-VI diatomics. Journal of Chemical Physics 1990, 92, (2), 899-908. [PDF]
187. Balasubramanian, K., Spectroscopic Constants and
Potential-Energy Curves of Heavy P-Block Dimers and Trimers. Chemical Reviews 1990, 90, (1), 93-167. [PDF]
186. Liu, X. Y.; Balasubramanian, K.; Munk, M. E.,
Computer-Assisted Graph-Theoretical Construction of C-13 NMR Signal and
Intensity Patterns. Journal of Magnetic Resonance1990, 87, (3), 457-474. [PDF]
185. Balasubramanian, K., Generators of the Character
Tables of Generalized Wreath Product Groups. Theoretica Chimica Acta 1990, 78, (1), 31-43. [PDF]
184. Wang, J. Z.; Das, K. K.; Balasubramanian, K.,
Potential-Energy Surfaces for Insertion of Zr into H2. Molecular Physics 1990, 69, (1), 147-159. [PDF]
183. Feng, P. Y.; Balasubramanian, K.; Kaufman, J. J.;
Koski, W. S., Energy-Transfer in Collisions of I+ with Xe. Physical Review A 1990, 42, (11), 6428-6435. [PDF]
182. Balasubramanian, K., Two Colorful Applications of
the PPP Method. International Journal of Quantum Chemistry 1990, 37, (4), 449-463. [PDF]
181. Liu, X. Y.; Balasubramanian, K.; Munk, M. E.,
Computational Techniques for Vertex Partitioning of Graphs. Journal of Chemical
Information and Computer Sciences 1990,
30, (3), 263-269. [PDF]
180. Liu, X. Y.; Balasubramanian, K., Computer
Generation of Character Tables of Generalized Wreath Product Groups. Journal of
Computational Chemistry 1990, 11,
(5), 589-602. [PDF]
179. Balasubramanian, K., Computer-Generation of
Distance Polynomials of Graphs. Journal of Computational Chemistry 1990, 11, (7), 829-836. [PDF]
178. Balasubramanian, K., Recent Developments in
Tree-Pruning Methods and Polynomials For Cactus Graphs and Trees. Journal of
Mathematical Chemistry 1990, 4,
89-102. [PDF]
177. Balasubramanian, K., In Spectrocopic Properties
of Very Heavy Molecules, 45th International Symposium on Molecular
Spectroscopy, Columbus OH, June, 1990;
Rao, K. N., Ed. Ohio State University: Columbus OH, 1990.
176. Balasubramanian, K., Recent Chemical Applications
of Computational Combinatorics and Graph Theory. In Computational Chemical
Graph Theory,, King, R. B., D. H. Rouvray Ed. Nova Press: NJ, 1990; pp 67-104. [PDF]
175. Balasubramanian, K., Electronic-Structure and
Reactivities of Semiconductor and Transition-Metal Clusters. Abstracts of
Papers of the American Chemical Society 1989,
198, 151-PHYS.
174. Balasubramanian, K Electronic states of dimeric
gallium (Ga2) Journal of Physical Chemistry 1989, 93 (26), 8388-8388 DOI: 10.1021/j100363a027 [PDF]
173. Balasubramanian, K., Geometries and Bond Energies
of GaHn and GaHn+ (n=1-3). Chemical Physics Letters 1989, 164, (2-3), 231-236. [PDF]
172. Balasubramanian, K.; Feng, P. Y., The Ionization-Potentials
of Agx, Aux, and Binding-Energies of Agx, Aux, Aux+, Agx+ (x=1-4) Chemical
Physics Letters 1989, 159, (5-6),
452-458. [PDF]
171. Balasubramanian, K.; Wang, J. Z., Spectroscopic
Properties and Potential Energy Curves of 36 Electronic States of ZrH. Chemical
Physics Letters 1989, 154, (6),
525-530. [PDF]
170. Wang, J. Z.; Balasubramanian, K., Spectroscopic
Properties and Potential-Energy Curves for 27 Electronic States of TcH. Journal
of Molecular Spectroscopy 1989, 138,
(1), 204-221. [PDF]
169. Li, J. Q.; Balasubramanian, K., Spectroscopic
Properties and Potential-Energy Curves of I2 and I2+. Journal of Molecular
Spectroscopy 1989, 138, (1),
162-180. [PDF]
168. Feng, P. Y.; Balasubramanian, K., The Low-Lying
Electronic States of Indium Trimer. Chemical Physics 1989, 138, (1), 89-98. [PDF]
167. Balasubramanian, K.; Nannegari, V., Spectroscopic
Constants and Potential-Energy Curves for 16 Electronic States of AsH. Journal
of Molecular Spectroscopy 1989, 138,
(2), 482-496. [PDF]
166. Balasubramanian, K.; Li, J. Q., Spectroscopic Properties
and Potential-Energy Curves of Sb2. Journal of Molecular Spectroscopy 1989, 135, (1), 169-187. [PDF]
165. Kim, G. B.; Balasubramanian, K., Spectroscopic Properties
and Potential Energy Curves of GaH. Journal of Molecular Spectroscopy 1989, 134, (2), 412-420. [PDF]
164. Balasubramanian, K.; Wang, J. Z., Spectroscopic
Properties and Potential-Energy Curves of 29 Electronic States of YH. Journal
of Molecular Spectroscopy 1989, 133,
(1), 82-89. [PDF]
163. Balasubramanian, K., Relativity and Chemical
Bonding. Journal of Physical Chemistry 1989,
93, (18), 6585-6596. [PDF]
162. Balasubramanian, K.; Liao, D. W., Spectroscopic
Properties of Low-Lying Electronic States of Rh2. Journal of Physical Chemistry
1989, 93, (10), 3989-3992. [PDF]
161. Balasubramanian, K.; Ravimohan, C.,
Potential-Energy Surfaces for Nb + H2 Reaction. Journal of Physical Chemistry 1989, 93, (11), 4490-4494. [PDF]
160. Balasubramanian, K.; Liao, M. Z., Electronic
States and Potential Energy Surfaces of AgH2 - Comparison with AuH2. Journal of
Physical Chemistry 1989, 93, (1),
89-94. [PDF]
159. Balasubramanian, K., Electronic states of dimeric
gallium (Ga2) [Erratum to document cited in CA105(26):234589n]. Journal of
Physical Chemistry 1989, 93, (26),
8388-8388. [PDF]
158. Balasubramanian, K.; Feng, P. Y.; Liao, M. Z.,
Geometries and Energy Separations of 14 Electronic States of Au4. Journal of
Chemical Physics 1989, 91, (6),
3561-3570. [PDF]
157. Das, K. K.; Balasubramanian, K., Potential-Energy
Surfaces for NbH2+ and MoH2+. Journal of Chemical Physics 1989, 91, (10), 6254-6267. [PDF]
156. Balasubramanian, K., Ten Low-Lying Electronic
States of Pd3. Journal of Chemical Physics 1989,
91, (1), 307-313. [PDF]
155. Balasubramanian, K.; Wang, J. Z.,
Potential-Energy Surfaces for Tc + H2 and Ru + H2 Reactions. Journal of
Chemical Physics 1989, 91, (12),
7761-7771. [PDF]
154. Das, K. K.; Balasubramanian, K., Potential Energy
Surfaces for YH2+ and ZrH2+. Journal of Chemical Physics 1989, 91, (4), 2433-2442. [PDF]
153. Balasubramanian, K., The Singlet-Triplet
Splittings in AsH2+, SbH2+, and BiH2+ and Bond-Energies and
Ionization-Potentials of AsH2. Journal of Chemical Physics 1989, 91, (4), 2443-2451. [PDF]
152. Balasubramanian, K., Spectroscopic Properties and
Potential-Energy Curves for Heavy P-Block Diatomic Hydrides, Halides, and
Chalconides. Chemical Reviews 1989,
89, (8), 1801-1840. [PDF]
151. Hosoya, H.; Balasubramanian, K., Exact Dimer
Statistics and Characteristic-Polynomials of Cacti Lattices. Theoretica Chimica
Acta 1989, 76, (5), 315-329. [PDF]
150. Balasubramanian, K., Electronic Structure of
Coinage Metal Clusters. Theochem-Journal of Molecular Structure 1989, 202, 291-313. [PDF]
149. Millar, P. S.; Warwar, G.; Wisoff, P. J.;
Sauerbrey, R.; Balasubramanian, K., Electron-Beam Excitation of Rare-Gas Alkali
Ionic Excimers. Applied Physics Letters 1989,
55, (21), 2176-2178. [PDF]
148. Balasubramanian, K., Applications of Edge
Colorings of Graphs and Characteristic-Polynomials to Spectroscopy and Quantum
Chemistry. Theochem-Journal of Molecular Structure 1989, 185, 229-248. [PDF]
147. Chapman, D. A.; Balasubramanian, K.; Lin, S. H.;
Kaufman, J. J.; Hariharan, P. C.; Koski, W. S., Transition Moments for Energy
Transfers in Ar-Cl+ Collisions. Physical Review A1989, 39, (9), 4428-4431. [PDF]
146. Hosoya, H.; Balasubramanian, K., Computational
Algorithms for Matching Polynomials of Graphs from the Characteristic
Polynomials of Edge-Weighted Graphs. Journal of Computational Chemistry 1989, 10, (5), 698-710. [PDF]
145. Liu, X. Y.; Balasubramanian, K., Computer
Generation of Edge Groups and Edge Colorings of Graphs. Journal of
Computational Chemistry 1989, 10,
(1), 1-13. [PDF]
144. Liu, X. Y.; Balasubramanian, K., Computer
Generation of the Character Tables of the Symmetric Groups (Sn). Journal of
Computational Chemistry 1989, 10,
(3), 417-425. [PDF]
143. Balasubramanian, K., Reduced Cycle Indices and
Their Applications in Enumeration of NMR Signals and Equivalence Classes.
Journal of Mathematical Chemsitry 1989,
3, 227-232. [PDF]
142. Balasubramanian, K., Characteristic Polynomials
of Spirographs. Journal of Mathematical Chemistry, 1989, 3, 147-159. [PDF]
141. Balasubramanian, K., In Mathematical and Computational
Applications to Fullerenes, The Third International Mathematical Chemistry
Conference, Galveston, Texas, March 5-9, 1989;
Galveston, Texas, 1989. [PDF]
140. Balasubramanian, K., In Electronic Properties of
Metal Clusters and Their Reacivities, 29th Sanibel Symposia, Ponce de Leon
Convention Center, St. Augustine, Florida, April 1-8, 1989; Zerner, M. C.; Ohrn, Y., Eds. Ponce de Leon Convention
Center, St. Augustine, Florida, 1989.
[PDF]
139. Balasubramanian, K., Chemical Applications of
Computational Graph-Theory. Abstracts of Papers of the American Chemical
Society 1988, 196, 12-COMP.
138. Balasubramanian, K., Enumeration of the Isomers
of the Gallium Arsenide Clusters (GamAsn). Chemical Physics Letters 1988, 150, (1-2), 71-77. [PDF]
137. Balasubramanian, K.; Feng, P. Y., The Electronic
States of Ga3. Chemical Physics Letters 1988,
146, (1-2), 155-161. [PDF]
136. Balasubramanian, K.; Ravimohan, C., Electronic
States and Potential Energy Surfaces of YH2. Chemical Physics Letters 1988, 145, (1), 39-43. [PDF]
135. Balasubramanian, K., Spectroscopic Properties and
Potential-Energy Curves of SnCl - Comparison with PbCl. Journal of Molecular
Spectroscopy 1988, 132, (1),
280-283. [PDF]
134. Balasubramanian, K.; Li, J. Q., Spectroscopic
Properties and Potential-Energy Surfaces of GeH. Journal of Molecular
Spectroscopy 1988, 128, (2),
413-426. [PDF]
133. Balasubramanian, K.; Liao, M. Z., Electronic
States and Potential Energy Surfaces of Gold and Silver Trimers. Chemical
Physics 1988, 127, (1-3), 313-324. [PDF]
132. Balasubramanian, K., Theoretical Study of
Spectroscopic Properties of PbCl. Journal of Molecular Spectroscopy 1988, 127, (1), 97-103. [PDF]
131. Balasubramanian, K., CASSCF/CI Calculations on
Electronic States of Br2 and Br2+. Chemical Physics 1988, 119, (1), 41-50. [PDF]
130. Balasubramanian, K.; Liao, D. W., Electronic
States and Potential Energy Surfaces of RhH2. Journal of Physical Chemistry 1988, 92, (22), 6259-6264. [PDF]
129. Balasubramanian, K.; Liao, M. Z., Electronic
States and Potential Energy Surfaces of AuH2. Journal of Physical Chemistry 1988, 92, (2), 361-364. [PDF]
128. Balasubramanian, K.; Liao, M. Z., Electronic
States and Potential-Energy Surfaces of SeH2 and SeH2+. Journal of Physical
Chemistry 1988, 92, (16), 4595-4599.
[PDF]
127. Balasubramanian, K., Relativistic Configuration
Interaction Calculations for Polyatomics - Applications to PbH2, SnH2 and GeH2.
Journal of Chemical Physics 1988,
89, (9), 5731-5738. [PDF]
126. Balasubramanian, K., Spectroscopic Properties of
41 Electronic States of Pd2. Journal of Chemical Physics 1988, 89, (10), 6310-6315. [PDF]
125. Chapman, D. A.; Li, J. Q.; Balasubramanian, K.;
Lin, S. H., Theoretical-Study of Electric Dipole and Transition Moments of GeH,
SnH, and PbH. Journal of Chemical Physics1988,
88, (6), 3826-3833. [PDF]
124. Balasubramanian, K.; Feng, P. Y.; Liao, M. Z.,
Electronic States and Potential Energy Surfaces of PdH2- Comparison with PtH2.
Journal of Chemical Physics 1988,
88, (11), 6955-6961. [PDF]
123. Balasubramanian, K.; Liao, D. W., Electronic
States and Potential Energy Surfaces of RhH. Journal of Chemical Physics 1988, 88, (1), 317-321. [PDF]
122. Balasubramanian, K.; Li, J. Q., Spectroscopic
Properties and Potential-Energy Surfaces of In2. Journal of Chemical Physics 1988, 88, (8), 4979-4986. [PDF]
121. Balasubramanian, K., Computer Generation of NMR
Signal and Intensity Patterns. Journal of Magnetic Resonance 1988, 77, (1), 33-39. [PDF]
120. Balasubramanian, K., Graph Edge Colorings and
Their Chemical Applications. Theoretica Chimica Acta 1988, 74, (2), 111-122. [PDF]
119. Chapman, D. A.; Balasubramanian, K.; Lin, S. H.,
Theoretical Study of the Negative Ions of HBr and HI. Physical Review A 1988, 38, (12), 6098-6106. [PDF]
118. Balasubramanian, K.; Feng, P. Y.; Kaufman, J. J.;
Hariharan, P. C.; Koski, W. S., Energy-Transfer in Ar-Cl+ Collisions. Physical
Review A 1988, 37, (9), 3204-3210. [PDF]
117. Balasubramanian, K.; Liu, X. Y., Spectra and
Characteristic Polynomials of Polyhedral Clusters. International Journal of
Quantum Chemistry 1988, 22, (S),
319-328. [PDF]
116. Balasubramanian, K., Relativistic CASSCF/CI
Calculations - Applications to Transition-Metal Dihydrides. International
Journal of Quantum Chemistry 1988,
22, (S), 465-476.[PDF]
115. Balasubramanian, K.; Liu, X. Y., Computer
Generation of Spectra of Graphs - Applications to C60 Clusters and Other
Systems. Journal of Computational Chemistry 1988, 9, (4), 406-415. [PDF]
114. Balasubramanian, K., Computer-Generation of
Characteristic-Polynomials of Edge-Weighted Graphs, Heterographs, and
Directed-Graphs. Journal of Computational Chemistry1988, 9, (3), 204-211. [PDF]
113. Balasubramanian, K., Tree Pruning Method and
Lattice Statistics on Bethe Lattices. Journal of Mathematical Chemistry, 1988, 2, 69-82. [PDF]
112. Balasubramanian, K.; Liao, M. Z.; Lin, S. H.,
CASSCF/CI Calculations of Potential-Energy Surfaces of He3+ and He2+. Chemical
Physics Letters 1987, 142, (5),
349-353. [PDF]
111. Balasubramanian, K.; Liao, M. Z.; Han, M.,
Theoretical Investigation of Electronic States of SeH and SeH+. Chemical
Physics Letters 1987, 139, (6),
551-557. [PDF]
110. Balasubramanian, K., Relativistic Calculations of
Electronic States of SnS. Chemical Physics Letters 1987, 139, (3-4), 262-266. [PDF]
109. Balasubramanian, K.; Liao, M. Z.; Lin, S. H.,
Relativistic Configuration Interaction Calculations for Electronic States of
KrHe+. Chemical Physics Letters 1987,
138, (1), 49-54. [PDF]
108. Balasubramanian, K., Electronic States and
Potential Energy Surfaces of ScH2. Chemical Physics Letters 1987, 135, (3), 288-293. [PDF]
107. Balasubramanian, K., CASSCF/CI Calculations on
Si4 and Si4+. Chemical Physics Letters 1987,
135, (3), 283-287. [PDF]
106. Balasubramanian, K.; Ravimohan, C., Theoretical
Investigation of Spectroscopic Properties of Te2. Journal of Molecular Spectroscopy
1987, 126, (1), 220-230. [PDF]
105. Balasubramanian, K.; Tanpipat, N.; Bloor, J. E.,
Spectroscopic Properties of SbH. Journal of Molecular Spectroscopy 1987, 124, (2), 458-463. [PDF]
104. Balasubramanian, K., Relativistic Quantum
Calculations of Spectroscopic Properties of Ge2. Journal of Molecular
Spectroscopy 1987, 123, (1),
228-236. [PDF]
103. Balasubramanian, K., Theoretical Investigation of
Spectroscopic Properties of As2. Journal of Molecular Spectroscopy 1987, 121, (2), 465-473. [PDF]
102. Chapman, D. A.; Balasubramanian, K.; Lin, S. H.,
A Theoretical-Study of Spectroscopic Properties and Transition Moments of HBr.
Chemical Physics 1987, 118, (3),
333-343. [PDF]
101. Liao, M. Z.; Balasubramanian, K.; Chapman, D.;
Lin, S. H., Abinitio Configuration Interaction Calculations for five States of
ArHe+. Chemical Physics 1987, 111,
(3), 423-429. [PDF]
100. Balasubramanian, K., Low-Lying Electronic States
of Se2. Journal of Physical Chemistry 1987,
91, (20), 5166-5169. [PDF]
99. Balasubramanian, K.; Liao, M. Z.; Lin, S. H.,
Theoretical Investigation of the Electronic States of He4+. Journal of Physical
Chemistry 1987, 91, (23), 5836-5837.
[PDF]
98. Balasubramanian, K., CASSCF/Cl Calculations of
Electronic States and Potential-Energy Surfaces of PtH2. Journal of Chemical
Physics 1987, 87, (5), 2800-2805. [PDF]
97. Balasubramanian, K., Electronic-Structure of
GaAs2. Journal of Chemical Physics 1987,
87, (6), 3518-3521. [PDF]
96. Balasubramanian, K.; Feng, P. Y.; Liao, M. Z., Relativistic
Calculations of Electronic States of PdH. Journal of Chemical Physics 1987, 87, (7), 3981-3985. [PDF]
95. Chapman, D. A.; Balasubramanian, K.; Lin, S. H.,
Electronic Dipole and Transition Moments from the Relativistic CI Wave-Function
- Application to Hl. Journal of Chemical Physics 1987, 87, (9), 5325-5328. [PDF]
94. Balasubramanian, K., Electronic States of Pt2.
Journal of Chemical Physics 1987,
87, (11), 6573-6578.[PDF]
93. Balasubramanian, K.; Han, M.; Liao, M. Z.,
Relativistic Calculations of Electronic States of TeH. Journal of Chemical
Physics 1987, 86, (9), 4979-4981.[PDF]
92. Balasubramanian, K.; Liao, M. Z., CASSCF/Cl
Calculations of Low-Lying States and Potential-Energy Surfaces of Au3. Journal
of Chemical Physics 1987, 86, (10),
5587-5590.[PDF]
91. Balasubramanian, K., Electronic States of GaAs and
GaAs+. Journal of Chemical Physics 1987,
86, (6), 3410-3413.[PDF]
90. Balasubramanian, K.; Pitzer, K. S., Relativistic
Quantum Chemistry. In Advances in Chemical Physics, Rice, S. A., Ed. Wiley
Interscience: New York, 1987; Vol.
67, pp 287-319.[PDF]
89. Balasubramanian, K., Computational Graph Theory.
In Studies in Physical and Theoretical Chemistry,, King, R. B., D. H. Rouvray,
Ed. Elsevier: Amsterdam, 1987; Vol.
54, pp 514-528. [PDF]
88. Balasubramanian, K., Symmetry in Chemsitry and
Indian Religions. In Symmetry in Cultural Context: An Interdisciplinary Workshop,
Nagy, D., Ed. Arizona State University, Tempe, AZ, 1987; 1, 12-15. [PDF]
87. Balasubramanian, K., Relativistic Quantum
Calculations of Molecules Containing very heavy atoms. In American Conference
on Theoretical Chemistry, Gull Lake, MN, 1987.
86. Balasubramanian, K.; Kaufman, J. J.; Hariharan, P.
C.; Koski, W. S., Energy Transfer in Br+-Kr Collisions. Chemical Physics
Letters 1986, 129, (2), 165-171. [PDF]
85. Balasubramanian, K., On the Low-Lying Electronic
States of BiF. Chemical Physics Letters 1986,
127, (4), 324-329. [PDF]
84. Balasubramanian, K., CASCF/CI Calculations of
Low-Lying States of SnH2. Chemical Physics Letters 1986, 127, (6), 585-589. [PDF]
83. Balasubramanian, K., CASSCF/CI Calculations of
Low-Lying States and Potential-Energy Surfaces of Si3. Chemical Physics Letters
1986, 125, (4), 400-406. [PDF]
82. Balasubramanian, K., Relativistic Quantum
Calculations of Spectroscopic Properties of BiH. Journal of Molecular
Spectroscopy 1986, 115, (2),
258-268. [PDF]
81. Balasubramanian, K., Relativistic Configuration
Interaction Calculation of Low-Lying States of BiH+. Journal of Physical
Chemistry 1986, 90, (6), 1043-1045. [PDF]
80. Balasubramanian, K., Electronic States of Ga2.
Journal of Physical Chemistry 1986,
90, (26), 6786-6790. [PDF]
79. Balasubramanian, K., Relativistic Calculations of
Electronic States and Potential-Energy Surfaces of Sn3. Journal of Chemical
Physics 1986, 85, (6), 3401-3406. [PDF]
78. Balasubramanian, K.; McLean, A. D., The Singlet Triplet
Energy Separation in Silylene. Journal of Chemical Physics 1986, 85, (9), 5117-5119. [PDF]
77. Balasubramanian, K., Electronic States of PbS.
Journal of Chemical Physics 1986,
85, (3), 1443-1446. [PDF]
76. Balasubramanian, K. In Spectroscopic Constants of
Molecules Containing Very Heavy Atoms, Gordon Conference on High Temperature
Chemistry Brewster Academy, NH, Jul 21-25 1986;
Hildenbrand, D., Ed. Gordon Research Conference: Brewster Academy, NH, 1986.
75. Hotoka, M.; Roos, B.; Balasubramanian, K.; Semo,
N.; Sharma, R. B.; Koski, W. S., On the Collisions of Rare Gas Atoms with
Halogen Positive Ions. In Advances in Chemical Reaction Dynamics, Rentzepis, P.
M.; Capellos, C., Eds. E. Reidel: Holland, 1986;
pp 135-143. [PDF]
74. Balasubramanian, K., On Graph Theoretical Polynomials
in Chemistry. In Mathematical and Computational Concepts in Chemistry,
Trinastic, N. ED.,. Ellis Horwood Ltd.: NJ, 1986; 20-33. [PDF]
73. Chapman, D. A.; Balasubramanian, K.; Lin, S. H.,
Relativistic Configuration Interaction Calculations on the Low-Lying Electronic
States of HI. Chemical Physics Letters 1985,
118, (2), 192-196. [PDF]
72. Balasubramanian, K., Relativistic Configuration
Interaction Calculations of the Low-Lying States of BiH. Chemical Physics
Letters 1985, 114, (2), 201-204. [PDF]
71. Balasubramanian, K., Relativistic Calculations of
the Spectroscopic Properties of Low-Lying States of ICl. Journal of Molecular
Spectroscopy 1985, 110, (2),
339-346. [PDF]
70. Balasubramanian, K., Relativistic Configuration
Interaction Calculations of the Low-Lying States of ICl and ICl+. Chemical
Physics 1985, 95, (2), 225-234. [PDF]
69. Balasubramanian, K., Applications of Combinatorics
and Graph Theory to Spectroscopy and Quantum Chemistry. Chemical Reviews 1985, 85, (6), 599-618. [PDF]
68. Balasubramanian, K., Relativistic
Configuration-Interaction Calculations of Low-Lying States of PbF. Journal of
Chemical Physics 1985, 83, (5),
2311-2315. [PDF]
67. Balasubramanian, K., Relativistic Configuration
Interaction Calculations of the Low-Lying States of TlF. Journal of Chemical
Physics 1985, 82, (8), 3741-3746. [PDF]
66. Balasubramanian, K.; Randic, M., Spectral
Polynomials of Systems with General Interactions. International Journal of
Quantum Chemistry 1985, 28, (4),
481-498. [PDF]
65. Balasubramanian, K., Computer-Assisted Enumeration
of Walks and Self-Returning Walks on Chemical Graphs. Computers & Chemistry
1985, 9, (1), 43-52. [PDF]
64. Balasubramanian, K., Characteristic-Polynomials of
Organic Polymers and Periodic Structures. Journal of Computational Chemistry 1985, 6, (6), 656-661. [PDF]
63. Balasubramanian, K.; Ramaraj, R., Computer
Generation of King and Color Polynomials of Graphs and Lattices and Their
Applications to Statistical Mechanics. Journal of Computational Chemistry 1985, 6, (5), 447-454. [PDF]
62. Ramaraj, R.; Balasubramanian, K.,
Computer-Generation of Matching Polynomials of Chemical Graphs and Lattices.
Journal of Computational Chemistry 1985,
6, (2), 122-141. [PDF]
61. Kaufman, J. J.; Hariharan, P. C.; Koski, W. S.; Balasubramanian,
K., Quantum Chemical and Other Theoretical Studies of Carcinogens, Their
Metabolic Activation and Attack on DNA Constituents. Allen R. Lyss Press): 1985; p 263-275. [PDF]
60. Balasubramanian, K.; Pitzer, K. S. Relativistic
quantum calculations of low-lying states of lead hydroxide 1984, https://www.osti.gov/biblio/6550633
59. Balasubramanian, K., Information Theoretic Indexes
for Characterization of Chemical Structures - Bonchev,D. Journal of the
American Chemical Society 1984, 106,
(6), 1893-1894. [PDF]
58. Balasubramanian, K.; Pitzer, K. S., Relativistic
Quantum Calculations of Low-Lying States of SnH - Comparisons with the
Electronic-Spectra of SnH and with the Properties of PbH. Journal of Molecular
Spectroscopy 1984, 103, (1),
105-112. [PDF]
57. Balasubramanian, K.; Pitzer, K. S., Relativistic
Quantum Calculations of Low-Lying States of Lead Hydride - Comparison with
Experimental Spectra. Journal of Physical Chemistry 1984, 88, (6), 1146-1148. [PDF]
56. Balasubramanian, K.; Dyke, T. R., Nuclear-Spin
Species, Statistical Weights, and Correlation Tables for Weakly Bound Van der
waals Complexes. Journal of Physical Chemistry1984, 88, (20), 4688-4692. [PDF]
55. Balasubramanian, K., Relativistic
Configuration-Interaction Calculations of Low-Lying States of SnO+, PbO+, PbS+,
and PbSe+ - Comparison with the Photoelectron-Spectra of SnO. Journal of Physical
Chemistry 1984, 88, (23), 5759-5763.
[PDF]
54. Balasubramanian, K.; Pitzer, K. S., Electron
structure calculations including CI for ten low lying states of Pb2 and Sn2. Partition
function and dissociation energy of Sn2-Erratum.Journal of Chemical Physics 1984, 80, (1), 592-592. [PDF]
53. Balasubramanian, K., The Use of Frames Method for the
Characteristic-Polynomials of Chemical Graphs. Theoretica Chimica Acta 1984, 65, (1), 49-58. [PDF]
52. Balasubramanian, K., Comments on Group
Theoretical-Analysis of NQR Spectra of Crystals. Theoretica Chimica Acta 1984, 64, (5), 415-419. [PDF]
51. Balasubramanian, K., Recent Applications of Group
Theoretical Generators to Chemical Physics. Croatica Chemica Acta 1984, 57, (6), 1525-1552. [PDF]
50. Balasubramanian, K., Computer-Generation of the
Characteristic-Polynomials of Chemical Graphs. Journal of Computational
Chemistry 1984, 5, (4), 387-394. [PDF]
49. Balasubramanian, K., Relativistic Configuration
Interaction-Applications to Molecules Containing Very Heavy Atoms. In Sixth
West Coast Theoretical Chemsitry Conference, Los Alamos National Lab, : Los
Alamos MN, 1984.
48. Balasubramanian, K.; Pitzer, K. S., Relativistic
Molecular-Structure Calculations Including CI for Several Low-Lying States of
SnO. Chemical Physics Letters 1983,
100, (3), 273-276. [PDF]
47. Balasubramanian, K.; Pitzer, K. S., Relativistic
Configuration-Interaction Calculations for Several Low-Lying States of PbO -
Comparison with Chemi-Luminescent Spectra.Journal of Physical Chemistry 1983, 87, (24), 4857-4861. [PDF]
46. Balasubramanian, K.; Pitzer, K. S.,
Electron-Structure Calculations Including CI for Ten Low-Lying States of Pb2
and Sn2 - Partition-Function and Dissociation-Energy of Sn2.Journal of Chemical
Physics 1983, 78, (1), 321-327. [PDF]
45. Balasubramanian, K., Operator and Algebraic
Methods for NMR-Spectroscopy .2. NMR Projection Operators and Spin Functions.
Journal of Chemical Physics 1983,
78, (11), 6369-6376. [PDF]
44. Balasubramanian, K., Operator and Algebraic
Methods for NMR-Spectroscopy .1. Generation of NMR Spin Species. Journal of
Chemical Physics 1983, 78, (11),
6358-6368. [PDF]
43. Balasubramanian, K., Symmetry and Spectra of
Graphs and Their Chemical Applications. In Studies in Physical and Theoretical
Chem., Rouvray, D. H., R. B. King, Ed. Elsevier Science Publishers: Amsterdam, 1983; Vol. 28, pp 243-251. [PDF]
42. Balasubramanian., K., Group Theory of Non-rigid
Molecules and its Applications. In Studies in Theoretical and Physical
Cemistry, Serre, J., J. Maruani, Ed. Elsevier: Amsterdam, 1983; Vol. 23, pp 149-168. [PDF]
41. Balasubramanian, K., Computer-Generation of the
Symmetry Elements of Non-Rigid Molecules. Journal of Computational Chemistry 1983, 4, (3), 302-307. [PDF]
40. Balasubramanian, K., Relativistic Computations of
Molecules Containing Very Heavy Atoms. In Fifth West Coast Theoretical
Chemistry Conference, Stanford Research Institute: Menlopark, CA, 1983. [PDF]
39. Balasubramanian, K.; Pitzer, K. S.; Strauss, H.
L., Nuclear-Spin Statistics of Cubane and Icosahedral Borohydride Ions. Journal
of Molecular Spectroscopy 1982, 93,
(2), 447-449. [PDF]
38. Balasubramanian, K., Topological and Group
Theoretical Analysis in Dynamic Nuclear Magnetic Resonance Spectroscopy.
Journal of Physical Chemistry 1982,
86, (24), 4668-4674. [PDF]
37. Pitzer, K. S.; Balasubramanian, K., Properties of
ten electronic states of diatomic lead from relativistic quantum calculations.
Journal of Physical Chemistry 1982,
86, (16), 3068-3070. [PDF]
36. Christiansen, P. A.; Balasubramanian, K.; Pitzer, K.
S., Relativistic Ab initio Molecular-Structure Calculations Including
Configuration-Interaction with Application to Six States of TlH. Journal of
Chemical Physics 1982, 76, (10),
5087-5092. [PDF]
35. Balasubramanian, K.; Randic, M., The
Characteristic-Polynomials of Structures with Pending Bonds. Theoretica Chimica
Acta 1982, 61, (4), 307-323. [PDF]
34. Balasubramanian, K., Computer-Assisted Enumeration
of NMR Signals. Journal of Magnetic Resonance 1982, 48, (2), 165-177. [PDF]
33. Balasubramanian, K., Method for Constructing
Isomerization-Reactions. International Journal of Quantum Chemistry 1982, 22, (2), 385-395. [PDF]
32. Balasubramanian, K., Symmetry Operators of
Generalized Wreath-Products and Their Applications to Chemical Physics.
International Journal of Quantum Chemistry 1982,
22, (5), 1013-1031. [PDF]
31. Balasubramanian, K., Symmetry Groups of Chemical
Graphs. International Journal of Quantum Chemistry 1982, 21, (2), 411-418. [PDF] 24 (1).
30. Balasubramanian, K., Spectra of Chemical Trees.
International Journal of Quantum Chemistry 1982,
21, (3), 581-590. [PDF]
29. Balasubramanian, K., Computer-Generation of
Isomers. Computers & Chemistry 1982,
6, (2), 57-63. [PDF]
28. Balasubramanian, K., Computer-Generation of
Nuclear-Spin Species and Nuclear-Spin Statistical Weights. Journal of
Computational Chemistry 1982, 3,
(1), 75-88. [PDF]
27. Balasubramanian, K.; RELATIVISTIC CONTRIBUTIONS TO
THE SINGLET-TRIPLET SEPARATION IN METHYLENE 1981, [PDF] https://www.osti.gov/servlets/purl/1148370
26. Balasubramanian, K., An Algorithm for the
Generation of Nuclear-Spin Species and Nuclear-Spin Statistical Weights.
Journal of Computational Chemistry 1982,
3, (1), 69-74. [PDF]
25. Balasubramanain, K. Symmetry Operators of Wreath
Products: Applications to Chemical Physics Proc SIAM J Mathematics, June 1981- LBL-12724 [PDF]
24. Balasubramanian, K., Generating-Functions for the
Nuclear-Spin Statistics of Non-Rigid Molecules. Journal of Chemical Physics 1981, 75, (9), 4572-4585. [PDF]
23. Balasubramanian, K., A Method for Nuclear-Spin
Statistics in Molecular Spectroscopy. Journal of Chemical Physics 1981, 74, (12), 6824-6829. [PDF]
22. Balasubramanian, K., Comments on Mcbrides
Completion of Kroners Proof That Hydrogens of Benzene Are Homotopic. Theoretica
Chimica Acta 1981, 59, (1), 91-93. [PDF]
21. Balasubramanian, K., The Combinatorics of Symmetry
Adaptation. Theoretica Chimica Acta 1981,
59, (1), 47-54. [PDF]
20. Balasubramanian, K., The Combinatorics of
Graphical Unitary Group-Approach to Many-Electron Correlation. Theoretica
Chimica Acta 1981, 59, (3), 237-250.
[PDF]
19. Balasubramanian, K. Chemical Applications of
Discrete Mathematics 1981, Johns
Hopkins University, Baltimore MD 21218 [PDF]
18. Balasubramanian, K., Symmetry Simplifications of
Space Types in Configuration-Interaction Induced by Orbital Degeneracy.
International Journal of Quantum Chemistry 1981,
20, (6), 1255-1271. [PDF]
17. Balasubramanian, K., Operator Theoretic Tensor
Methods for Chemical Applications. In SIAM National Conference on the
Applications of Discrete Mathematics, Society for Industrial & Applied
Mathematics: Troy NY, June 10-12, 1981. [PDF]
16. Balasubramanian, K., Group Theory & Operator
Methods in NMR Spectroscopy. In Third West Coast Theoretical Chemistry
Conference NASA Ames Research Center, Moffett Field, CA., 1981.
15. Balasubramanian, K., Graph Theoretical
Characterization of NMR Groups, Nonrigid Nuclear-Spin Species and the
Construction of Symmetry Adapted NMR Spin Functions.Journal of Chemical Physics
1980, 73, (7), 3321-3337. [PDF]
14. Balasubramanian, K., Symmetry Groups of Nonrigid
Molecules as Generalized Wreath Products and Their Representations. Journal of
Chemical Physics 1980, 72, (1),
665-677. [PDF]
13. Balasubramanian, K.; Yarkony, D. R., The
Electronic-Structure of Polydiacetylenes - Cyclic Versus Linear-Models.
Chemical Physics Letters 1980, 70,
(2), 374-378. [PDF]
12. Balasubramanian, K.; Kaufman, J. J.; Koski, W. S.;
Balaban, A. T., Graph Theoretical Characterization and Computer-Generation of
Certain Carcinogenic Benzenoid Hydrocarbons and Identification of Bay Regions.
Journal of Computational Chemistry 1980,
1, (2), 149-157. [PDF]
11. Balasubramanian, K. Maximal diagonal sums, Linear
and Multilinear Algebra, 1979, 7:3,
249-251.
10. Balasubramanian, K., Open Problem: Enumerating
Isomers. Annals New York Academy Sciences 1979,
319, 576-577. [PDF]
9. Balasubramanian,K. Constancy of functions
restricted to a subset, Linear and Multilinear Algebra, 1979, 7:3, 253-255.
8. Balasubramanian, K., Enumeration of Stable Stereo
and Position Isomers of Poly-substituted Alcohols. Annals New York Academy
Sciences 1979, 319, 33-36. [PDF]
7. Balasubramanian, K., Enumeration of
Internal-Rotation Reactions and Their Reaction Graphs. Theoretica Chimica Acta 1979, 53, (2), 129-146. [PDF]
6. Balasubramanian, K., Generalized Wreath Product
Method for the Enumeration of Stereo and Position Isomers of Polysubstituted
Organic-Compounds. Theoretica Chimica Acta 1979,
51, (1), 37-54. [PDF]
5. Balasubramanian, K. On equality of some elements in
matrices. Linear Algebra and its Applications, 1978, 22, 35-138. [PDF]
4. Balasubramanian, K., Linear Algebraic Generalized
Matrix and Matrix Inverse Techniques for Analysis and Balancing of Chemical
Reactions and Chemical Equilibria. 1978,
p10
3. Balasubramanian, K., Combinatorial Enumeration of
Chemical Isomers. Indian Journal of Chemistry Section B-Organic Chemistry
Including Medicinal Chemistry 1978,
16, (12), 1094-1096. [PDF]
2. Balasubramanian, K, Combinatorial Enumeration of
Chemical Isomers, Birla Institute of Technology & Science: Pilani, India,
Thesis. 1977
1. Balasubramanian, K.; Mishra, S. R.; Nath, R.,
Concepts in Science. Birla Institute of Technology & Science: Pilani,
India, 1977; p 612 [PDF].