2006

• 53. T. Björling, D. Noréus, U. Häussermann
  Polyanionic Hydrids from Polar Intermetallics AeE2 (Ae = Ca, Sr, Ba; E = Al, Ga, In),
  Journal of the American Chemical Society, 128 (2006), 817-824.

2005

• 52. A. Tengå, F. J. García García, A. S. Mikhaylushkin, B. Espinosa-Arronte, M. Andersson, U. Häussermann
  Chalcopyrite-Sphalerite Polymorphism in Semimetallic ZnSnSb2,
  Chemistry of Materials, 17 (2005), 6080-6085.

• 51. T. Björling, D. Noréus, K. Jansson, M. Andersson, E. Leonova, M. Edén, U. Hålenius, U. Häussermann,
  SrAlSiH: A Polyanionic Semiconductor Hydride,
  Angewandte Chemie Int. Ed. Engl., 44 (2005), 7269-7273.

• 50. T. Sato, D. Noréus, H. Takeshita, U. Häussermann,
  Hydrides with the Perovskite Structure: General Bonding and Stability Considerations and the New Representative CaNiH 3,
  Journal of Solid State Chemistry, 178 (2005), 3381-3388.

• 49. H. Lind, S. Lidin , U. Häussermann,
  Structure and Bonding Principles of (Bi 2Se 3) m(Bi 2) n Stackings by First Principles Density Functional Theory.
  Physical Review B, 72 (2005), 184101 (8 pages) .

• 48. S. Ponou, N. Müller, T. F. Fässler, U. Häussermann
  KBi 2-xPb x: A Zintl-Phase Evolving from a Distortion of the Cubic Laves-Phase Structure,
  Inorganic Chemistry, 44 (2005), 7423-7430.

• 47. A. S. Mikhaylushkin, S. I. Simak, B. Johansson, U. Häussermann
  Electron Concentration and Pressure Induced Structural Changes in Alloys In1-xX x (X = Cd, Sn),
  Physical Review B, 72 (2005), 134202 (7 pages) .

• 46. A. S. Mikhaylushkin, J. Nylén, U. Häussermann,
  Structure and Bonding of Zinc Antimonides - Complex Frameworks and Narrow Band Gaps,
  Chemistry – A European Journal, 11 (2005), 4912-4920.

• 45. U. Hålenius, U. Häussermann, H. Harryson
  Holtstamite, Ca 3(Al,Mn 3+) 2(SiO 4) 3-x(H 4O 4) x, a New Tetragonal Hydrogarnet from the Wessels Mine , South Africa ,
  European Journal of Mineralogy, 17 (2005), 375-382.

• 44. P. Sreeraj, R.-D. Hoffmann, Z. Wu, R. Pöttgen, U. Häussermann
  Structure and Bonding of Li 1.42(5)Pd 2Sn 5.58(5) – A Lithium Intercalated Palladium Stannide,
  Chemistry of Materials, 17 (2005), 911-915.

2004

• 43. J. Nylén, M. Andersson, S. Lidin, U. Häussermann
  The Structure of a -Zn 4Sb 3: Ordering of the Phonon-Glass Thermoelectric Material b -Zn 4Sb 3,
  Journal of the American Chemical Society, 126 (2004), 1606-1607

• 42. S. Amerioun, T. Yokosawa, S. Lidin, U. Häussermann
  Phase Stability in the Systems AeAl 2-xMg x (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations Based on the Laves Phase Structural Theme,
  Inorganic Chemistry, 43 (2004), 4751-4760

• 41. A. S. Mikaylushkin, U. Häussermann, B. Johansson, S. I. Simak
  Fluctuating Lattice Constants in Indium under High-Pressure,
  Physical Review Letters, 92 (2004), 195501 (4 pages).

• 40. U. Häussermann, O. Degtyareva, A. S. Mikaylushkin, K. Söderberg, S. I. Simak, M. I. McMahon, R. J. Nelmes, R. Norrestam
  Alloys Bi 1-xSb x under High-Pressure: Effect of Alloying on the Incommensurate Bi-III Type Composite Structure,
  Physical Review B, 69 (2004), 134203 (10 pages).

• 39. J. Nylén, F. J. García García, B. Mosel, R. Pöttgen, U. Häussermann
  Phase Stability and Bonding of PdSn n (n = 2, 3, 4),
  Solid State Sciences, 6 (2004), 147-155.

2003

• 38. S. Amerioun, U. Häussermann
  Structure and Bonding of Sr 3In 11 -
  How Size and Electronic Effects Determine Structural Stability of Polar Intermetallic Compounds,
  Inorganic Chemistry, 42 (2003), 7782-7788.

• 37. U. Häussermann
  High-Pressure Structural Trends of Group 15 Elements: Simple Packed Structures versus Complex Host-Guest Arrangements,
  Chemistry - A European Journal, 9 (2003), 1471-1478.

• 36. M. Schlüter, U. Häussermann, B. Heying, R. Pöttgen
  Tin-Magnesium Substitution in Ir 3Sn 7 - Structure and Chemical Bonding in Mg xIr 3Sn 7-x,
  Journal of Solid State Chemistry, 173 (2003), 418-424.

• 35. S. Amerioun, S. I. Simak, U. Häussermann
  Laves Phase Structural Changes in the System CaAl 2-xMg x,
  Inorganic Chemistry, 42 (2003), 1467-1474.

• 34. U. Häussermann, B. Johansson, R. Ahuja, S. I. Simak
  Metal-Nonmetal Transition in the Boron Group Elements,
  Physical Review Letters, 90 (2003), 065701 (4 pages).

2002

• 33. U. Häussermann, K. Söderberg, R. Norrestam
  A Comparative Study of the High-Pressure Behaviour of As, Sb, and Bi,
  Journal of the American Chemical Society, 124 (2002), 15359-15367.

• 32. U. Häussermann, H. Blomqvist, D. Noréus
  Bonding and Stability of the Hydrogen Storage Material Mg 2NiH 4,
  Inorganic Chemistry, 41 (2002), 3684-3692.

• 31. E. Nordmark, O. Wallner, U. Häussermann
  Polymorphism of IrSn 4,
  Journal of Solid State Chemistry, 168 (2002), 34-40.

• 30. U. Häussermann, M. Boström, P. Viklund, Ö. Rapp, T. Björnängen
  FeGa 3 and RuGa 3 - Semiconducting Intermetallic Compounds,
  Journal of Solid State Chemistry, 165 (2002), 94-99.

• 29. P. Viklund, S. Lidin, P. Berastegui, U. Häussermann
  Variations of the FeGa 3 Structure Type in the Systems CoIn 3-xZn x and CoGa 3-xZn x,
  Journal of Solid State Chemistry, 165 (2002), 100-110.

• 28. U. Häussermann, S. Amerioun, L. Eriksson, C.-S. Lee, G. J. Miller
  The s-p Bonded Representatives of the Prominent BaAl 4 Structure Type:
  A Case Study on Structural Stability of Polar Intermetallic Network Structures,
  Journal of the American Chemical Society, 124 (2002), 4371-4383.

2001

• 27. U. Häussermann, P. Berastegui, S. Carlson, J. M. Léger, J. Haines
  TlF and PbO under High Pressure: Unexpected Persistence of the Stereochemically Active Lone Pair,
  Angewandte Chemie Int. Ed. Engl., 40 (2001), 4624-4629.

• 26. P. Viklund, C. Svensson, S. Hull , P. Berastegui, S. I. Simak, U. Häussermann
  From V 8Ga 36.9Zn 4.1 and Cr 8Ga 29.5Zn 11.5 to Mn 8Ga 27.4Zn 13.6:
  A Remarkable Onset of Zn-Cluster Formation in an Intermetallic Framework,
  Chemistry - A European Journal, 7 (2001), 5143 - 5152.

• 25. U. Häussermann, S. I. Simak
  Origin of the c/a Variation in Hexagonal Close-Packed Divalent Metals,
  Physical Review B, 64 (2001), 245114-245124.

• 24. C. Klemp, M. Bruns, J. Gauss, U. Häussermann, G. Stösser, L. v. Wüllen, M. Jansen,
  H. Schnöckel
  Al 22Cl 20 × 12L (L = THF, THP) - the First Polyhedral Aluminum Chlorides,
  Journal of the American Chemical Society, 123 (2001), 9099-9106.

• 23. U. Häussermann, P. Viklund, M. Boström, R. Norrestam, S. I. Simak
  Bonding and Properties of Hume-Rothery Compounds with the Simple PtHg 4 Structure,
  Physical Review B, 63 (2001), 125118-125128.

2000

• 22. M. Olofsson-Mårtensson, U. Häussermann, J. Tomkinson, D. Noréus
  Stabilisation of Electron Dense Palladium Hydrido Complexes in Solid State Hydrides,
  Journal of the American Chemical Society, 122 (2000), 6960-6970.

• 21. S. I. Simak, U. Häussermann, R. Ahuja, S. Lidin , B. Johansson
  Gallium and Indium under High Pressure,
  Physical Review Letters, 85 (2000), 142-145.

• 20. U. Häussermann, S. I. Simak, R. Ahuja, B. Johansson
  A Unified Bonding Picture for the Metallic Triel Elements,
  Angewandte Chemie Int. Ed. Engl., 39 (2000), 1246-1249.

1999

• 19. U. Häussermann, S. I. Simak, R. Ahuja, B. Johansson, S. Lidin
  The Origin of the Distorted Close-Packed Elemental Structure of Indium,
  Angewandte Chemie Int. Ed. Engl., 38 (1999), 2017-2020.

• 18. U. Häussermann, P. Viklund, C. Svensson, S. Eriksson, P. Berastegui, S. Lidin
  The Hume-Rothery Compound Mn 8Ga 27.4Zn 13.6: Separated Zn 13-Clusters Interspersed in a Primitive Cubic Host Lattice,
  Angewandte Chemie Int. Ed. Engl., 38 (1999), 488-492.

1998

• 17. U. Häussermann, S. I. Simak, I. A. Abrikosov, B. Johansson, S. Lidin
  Electronically Induced Phase Transitions in Ternary Transition Metal Distannide Systems,
  Journal of the American Chemical Society, 120 (1998), 10136 - 10146.

• 16. U. Häussermann, M. Elding-Pontén, C. Svensson, S. Lidin
  Compounds with the Ir 3Ge 7 Structure Type:
  Interpenetrating Frameworks with Flexible Bonding Properties,
  Chemistry - A European Journal, 4 (1998), 1007-1015.

• 15. U. Häussermann, C. Svensson, S. Lidin
  Tetrahedral Stars as Flexible Basis Clusters in sp-bonded Intermetallic Frameworks and the Compound BaLi 7Al 6 with the NaZn 13 Structure,
  Journal of the American Chemical Society, 120 (1998), 3867 - 3880.

1997

• 14. U. Häussermann, A. R. Landa-Cánovas, S. Lidin
  The Phase Co 1-xNi xSn 2: Structural Variations Based on the Stacking of two Different Planar Nets,
  Inorganic Chemistry, 36 (1997), 4307-4315.

• 13. U. Häussermann, S. Lidin
  On the Closely Related Structures SiF 4 and CuAl 2,
  Journal of Solid State Chemistry, 132 (1997), 151-155.

• 12. S. I. Simak, U. Häussermann, I. A. Abrikosov, O. Eriksson, J. M. Wills, S. Lidin, B. Johansson
  Stability of the Anomalous Large-Void CoSn Structure,
  Physical Review Letters, 79 (1997), 1333-1336.

• 11. U. Häussermann, S. I. Simak, I. A. Abrikosov, S. Lidin
  The Structure of a -Gallium and its Relation to Deltahedral Clusters,
  Chemistry - A European Journal, 3 (1997), 904-911.

1996 and earlier

• 10. U. Häussermann, M. Wörle, R. Nesper
  Ca 6Li xAl 23-x, Sr 9Li 7+xAl 36-x, and Ba 2Li 3+xAl 6-x: New Ternary Intermetallic Compounds Linking Close-Packed Metal Structures and Zintl-Phases,
  Journal of the American Chemical Society, 118 (1996), 11789-11797.

• 9. U. Häussermann, R. Nesper, S. Wengert, T. F. Fässler
  Program MEHMACC: modified version of the QCPE program EHMACC (extended Hückel band structure calculations), ETH Zürich: Zürich, 1994.
  MEHMACC allows additionally the self-consistent charge-iteration of atomic H ii parameters and the calculation of the electron density, partial electron density, and the electron localisation function (ELF).

• 8. T. F. Fässler, U. Häussermann, R. Nesper
  Visualisation of Tight-Binding Calculations - The Electronic Structure and Electron Localisation of the Si(100) Surface,
  Chemistry - A European Journal, 1 (1995), 625-633.

• 7. U. Häussermann, R. Nesper
  Structural stability of networks in main group intermetallics,
  Journal of Alloys and Compounds, 218 (1995), 244-254.

• 6. U. Häussermann, S. Wengert, R. Nesper
  Unequivocal Partitioning of Crystal Structures, Exemplified by Intermetallic Phases Containing Aluminium,
  Angewandte Chemie Int. Ed. Engl., 33 (1994), 2073-2076.

• 5. U. Häussermann, S. Wengert, P. Hofmann, A. Savin, O. K. Andersen, R. Nesper
  Localisation of Electrons in Intermetallic Phases Containing Aluminium,
  Angewandte Chemie Int. Ed. Engl., 33 (1994), 2069-2073.

• 4. W. Blase, G. Cordier, V. Müller, U. Häussermann, R. Nesper, M. Somer
  Preparation and Crystal Structures of Rb 8In 11, K 8In 11, and Rb 8Tl 11;
  Band Structure Calculations on K 8In 11,
  Zeitschrift für Naturforschung, 48b (1993), 754-760.

• 3. U. Häussermann, M. Dolg, H. Stoll, H. Preuss, P. Schwerdtfeger, R. M. Pitzer
  All-electron and pseudopotential benchmark calculations for Hg, HgH and their cations,
  Molecular Physics, 78 (1993), 1211-1224.

• 2. D. Andrae, U. Häussermann, M. Dolg, H. Stoll, H. Preuss
  Energy-adjusted ab initio pseudopotentials: molecular test for M 2
  (M = Ag, Au) and MH (M = Ru, Os),
  Theoretica Chimica Acta, 78 (1991), 247-266.

• 1. D. Andrae, U. Häussermann, M. Dolg, H. Stoll, H. Preuss
  Energy-adjusted ab initio pseudopotentials for the second and third row transition elements,
  Theoretica Chimica Acta, 77 (1990), 123-141.