@article{KauppSchnering1994,
  author    = {Kaupp, Martin and Schnering, Hans Georg von},
  title     = {Origin of the Unique Stability of Condensed-Phase Hg\(_2 ^{2+}\). An ab Initio Investigation of M\(^I\) and M\(^{II}\) Species (M= Zn, Cd, Hg)},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-59981},
  year      = {1994},
  abstract  = {No abstract available},
  subject      = {Anorganische Chemie},
  language  = {en}
}
@article{KauppSchnering1994,
  author    = {Kaupp, Martin and Schnering, Hans Georg von},
  title     = {The Dominance of Linear 2-Coordination in Mercury Chemistry: Quasirelativistic and Nonrelativistic ab Initio Pseudopotential Study of (HgX\(_2\))\(_2\) (X=F, Cl, Br, I, H)},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-59995},
  year      = {1994},
  abstract  = {No abstract available},
  subject      = {Anorganische Chemie},
  language  = {en}
}
@article{KauppSchnering1993,
  author    = {Kaupp, Martin and Schnering, Hans Georg von},
  title     = {Molekulares Quecksilber(IV)-fluorid, HgF\(_4\): eine ab-initio-Untersuchung},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-60021},
  year      = {1993},
  abstract  = {No abstract available},
  subject      = {Anorganische Chemie},
  language  = {de}
}
@article{KauppSchleyerStolletal.1991,
  author    = {Kaupp, Martin and Schleyer, Paul. von Rague and Stoll, Hermann and Preuss, Heinzwerner},
  title     = {The Question of bending of the Alkaline Earth Dihalides MX\(_2\) (M = Be, Mg, Ca, Sr, Ba; X = F, C1, Br, I). An ab Initio Pseudopotential Study},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-60166},
  year      = {1991},
  abstract  = {No abstract available},
  subject      = {Anorganische Chemie},
  language  = {en}
}
@article{KauppSchleyer1992,
  author    = {Kaupp, Martin and Schleyer, Paul. von Rague},
  title     = {The Structural Variations of Monomeric Alkaline Earth MX\(_2\)-Compounds (M = Ca, Sr, Ba; X = Li, BeH, BH\(_2\), CH\(_3\), NH\(_2\),OH, F). An ab Initio Pseudopotential Study},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-60152},
  year      = {1992},
  abstract  = {No abstract available},
  subject      = {Anorganische Chemie},
  language  = {en}
}
@article{KauppSchleyerStoll1992,
  author    = {Kaupp, Martin and Schleyer, Paul von Rague and Stoll, Hermann},
  title     = {Model CaH\(_2\)(L) and CaF\(_2\)(L) Complexes (L = Ne, Ar, Kr, Xe, CO, N\(_2\)): Consequences of Interactions between "Inert-Gas" Ligands and Floppy Molecules},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-60078},
  year      = {1992},
  abstract  = {No abstract available},
  subject      = {Anorganische Chemie},
  language  = {en}
}
@article{KauppSchleyerDolgetal.1992,
  author    = {Kaupp, Martin and Schleyer, Paul von Rague and Dolg, Michael and Stoll, Hermann},
  title     = {The Equilibrium Structures of Monomeric Group 2 and Lanthanide(II) Metallocenes MCp2 (M = Ca, Sr, Ba, Sm, Eu, Yb) Studied by ab Initio Calculations},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-60139},
  year      = {1992},
  abstract  = {No abstract available},
  subject      = {Anorganische Chemie},
  language  = {en}
}
@article{KauppSchleyer1993,
  author    = {Kaupp, Martin and Schleyer, Paul von Rague},
  title     = {The Peculiar Coordination of Brium: Ab Initio Study of the Molecular and Electronic Structures of the Group 2 Dihydride Dimers M\(_2\)H\(_4\) (M=Mg, Ca, Sr, Ba)},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-60048},
  year      = {1993},
  abstract  = {No abstract available},
  subject      = {Anorganische Chemie},
  language  = {en}
}
@article{KauppSchleyer1993,
  author    = {Kaupp, Martin and Schleyer, Paul von Rague},
  title     = {Ab Initio Study of Structures and Stabilities of Substituted Lead Compounds. Why is Inorganic Lead Chemistry Dominated by Pb\(^{II}\) but Organolead Chemistry by Pb\(^{IV}\)?},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-60069},
  year      = {1993},
  abstract  = {No abstract available},
  subject      = {Anorganische Chemie},
  language  = {en}
}
@article{KauppSchleyer1992,
  author    = {Kaupp, Martin and Schleyer, Paul von Rague},
  title     = {Struktur- und Stabilit{\"a}tstrends bei Fluor(methyl)plumbanen},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-60091},
  year      = {1992},
  abstract  = {No abstract available},
  subject      = {Anorganische Chemie},
  language  = {en}
}
@article{KauppSchleyer1992,
  author    = {Kaupp, Martin and Schleyer, Paul von Rague},
  title     = {The Structure and Stability Trends Fluoro(methyl)plumbanes},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-60105},
  year      = {1992},
  abstract  = {No abstract available},
  subject      = {Anorganische Chemie},
  language  = {en}
}
@article{KauppSchleyer1992,
  author    = {Kaupp, Martin and Schleyer, Paul von Rague},
  title     = {Do Low-Coordinated Group 1-3 cations M\(^n\) \(^+\)L\(_m\) (Mn\(^+\) = K\(^+\), Rb\(^+\), Cs\(^+\), Ca\(^{2+}\), Sr\(^{2+}\), Ba\(^{2+}\), Sc\(^{3+}\), Y\(^{3+}\), La\(^{3+}\); L = NH\(_3\), H\(_2\)0, HF; m = 1-3) with a Formal Noble-Gas Electron Configuration Favor Regular or "Abnormal" Shapes?},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-60111},
  year      = {1992},
  abstract  = {No abstract available},
  subject      = {Anorganische Chemie},
  language  = {en}
}
@article{KauppSchleyerStolletal.1991,
  author    = {Kaupp, Martin and Schleyer, P. v. R. and Stoll, H. and Preuss, H.},
  title     = {Pseudopotential Approaches to Ca, Sr and Ba Hybrides. Why are some Alkaline Earth MX\(_2\) Compounds Bent?},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-31646},
  year      = {1991},
  abstract  = {Quasirelativistic and nonrelativistic lo-valence-electronp seudopotentialsf or Ca, Sr, and Ba are presented. Results of calculations with 6s6p5d basis sets for MH, MH\(^+\) , and MH\(_2\), are compared with all-electron and 2-valence-electron pseudopotential calculations with and , without core-polarization potentials. The lo-valence-electron pseudopotential approach agrees well with all-electron calculations. It circumvents problems for the 2-valence-electron pseudopotentials arising from an incomplete separation of valence and subvalence shells in polar molecular systems due to strongly contracted occupied (n - 1 )-d orbitals. All higherlevel calculations show SrH\(_2\) and BaII\(_2\), to be bent with angles of - 140° and 120°, respectively, while CaH\(_2\) is linear with a flat potential-energy surface for the bending motion. The use of a core-polarization potential together with the 2-valence-electronp seudopotentiala pproach allows an investigation of the relative importance of core-polarization vs direct d-orbital bonding participation as reasons for the bent structures. The calculations strongly suggest that both contribute to the bending in SrH\(_2\) and BaII\(_2\). Even at the Hartree-Fock level of theory lovalence- electronp seudopotentialc alculations given reasonablea nglesw hen the potentialenergy surface is not exceedingly flat, and only moderately contracted basis sets including both compact d functions and diffuse p functions are used. The effect of core-valence correlation and the importance off functions also are discussed.},
  subject      = {Chemie},
  language  = {en}
}
@article{KauppDolgStolletal.1994,
  author    = {Kaupp, Martin and Dolg, Michael and Stoll, Hermann and Schnering, Hans Georg von},
  title     = {Oxidation State +IV in Group 12 Chemistry : Ab Initio Study of Zinc(IV), Cadmium(IV), and Mercury(IV) Fluorides},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-60018},
  year      = {1994},
  abstract  = {No abstract available},
  subject      = {Anorganische Chemie},
  language  = {en}
}
@article{KauppCharkinSchleyer1992,
  author    = {Kaupp, Martin and Charkin, Oleg P. and Schleyer, Paul von Rague},
  title     = {The Ions MCp\(^{2+}\) (M = Sc, La): Significantly Bent Sandwich Species},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-60082},
  year      = {1992},
  abstract  = {No abstract available},
  subject      = {Anorganische Chemie},
  language  = {en}
}