Professor Krishnan Balasubramanian


MA & Ph.D., Johns Hopkins University
PhD mentor Walter S. Koski
Post-doctoral Associate, University of California, Berkeley CA
Post-doctoral mentor Kenneth S. Pitzer

MSc(Honors) with Distinction

Current Other Affiliations:

Lawrence Berkeley National Laboratory, UC,Berkeley
Professor Emeritus, Arizona State University,Department of Chemistry & Biochemistry

Telephone: (925)422-4984
E-mail: KBalasubramanian at or

Editorial Advisory Board

Scientific Advisory Panels

National Academy of Sciences Advisory Panel to the Air Force Office of Scientific Research, DOE Environmental Management Science Program Advisory Panel, DOE Laboratory Technology Advisory Panel

Publications:Number of Publications in Refereed Journals to date: 600


K. Balasubramanian, “Relativistic Effects in Chemistry Part A. Theory & Techniques”, Wiley Interscience, New York, NY, p 301 1997.
More Details on This Book

K. Balasubramanian , “Relativistic Effects in Chemistry Part B. Applications to Molecules & Clusters”, Wiley Interscience, New York, NY, p527 1997.
Amazon's Link to These Books

Prof. Balu's Complete List of Publications

Sample Journal Publications:

K.Balasubramanian, "Relativistic Effects and Electronic Structure of Lanthanide and Actinide Molecules", in Handbook on the Physics and Chemistry of Rare Earths, Elsevier Science Publishers, 18, 29-158 (1994)

K. Balasubramanian, "Applications of Combinatorics and Graph Theory to Spectroscopy and Quantum Chemistry", Chemical Reviews, 85, 599-618 (1985).

K. Balasubramanian, "Relativity and Chemical Bonding," J. Phys. Chem., 93, 6585-6596 (1989).

K. Balasubramanian, "Electronic Structure of Coinage Metal Clusters", J. Molecular Structure (Theochem) (special issue), 202, 291-313 (1989).

K. Balasubramanian, "Spectroscopic Constants and Potential Energy Curves for Heavy Diatomic p-Block Hydrides, Halides and Chalconides", Chemical Reviews, 89, 1801-1840 (1989).

K. Balasubramanian, "Spectroscopic Properties and Potential Energy Curves of Heavy pBlock Dimers and Trimers", Chemical Reviews, 90, 93-167 (1990).

K. Balasubramanian, "ESR Hyperfine Patterns for the Radicals Derived from C60 and C70", Chem. Phys. Lett. 210, 153-158 (1993).

K. Balasubramanian, "Nuclear Spin Statistics of Larger Fullerene Cages (C50, C70, C76 and C84)", J. Phys. Chem.97, 8736-8744 (1993).

K. Balabramanian, "Molecular Orbitals and Hadamard Matrices", Chem. Phys Lett. 210, 216-222 (1993).

K. Balasubramanian, "Integration of Graph Theory and Quantum Chemistry for Structure-Activity Relations", SArR and QSAR in Environmental Research, 2, 59-77(1994).

S. Roszak and K. Balasubramanian, "Organometallic Analogue of the Diels-Alder Reaction: Mo2 + Ethylene and Mo2 + Butadiene", Inorganic Chemistry 33, 4169-4172 (1994).

K. Balasubramanian, "Computer Perception of NMR Symmetry",J. Magnetic Resonance 112, 182-190 (1995).

H. Tan, M. Z. Liao, and K. Balasubramanian, “A Flexible Correlation Group Table (CGT) Method for the Relativistic Configuration Wavefunctions”, J. Mathematical Chem. XX,YYY (2001)

D. Dai and K. Balasubramananian, “Electronic states and thermodynamic Properties of NbCn (n=3-8)”, J. Phys. Chem. A 104, 9760-9769 (2000).

D. Majumdar , D. Dai and K. Balasubramanian, “Theoretical study of the electronic states of platinum trimer (Pt3), Journal of Chemical Physics, 113, 7919-7927 (2000).

S. Roszak, W. S. Koski, J. J. Kaufman and K. Balasubramanian, “Structures and Electron Attachment Properties of Halomethanes (CXnYm, X=H-F; Y=Cl, Br, I; n=0,4; m=4-n), SAR & QSAR in Environmental Research, (2001)

D. Majumdar, Dingguo Dai and K. Balasubramanian, “Theoretical study of electronic states of platinum pentamer (Pt5)”, J. Chem. Phys., 113, 7928-7938 (2000).

Subhash C. Basak,Gregory D. Grunwald, Brian D. Gute, Krishnan Balasubramanian, and David Opitz ; Use of Statistical and Neural Net Approaches in Predicting Toxicity of Chemicals, Journal of Chemical Information and Computer Sciences; 2000; 40(4); 885-890.

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