@article{KauppSchnering1994,
  author    = {Kaupp, Martin and Schnering, Hans Georg von},
  title     = {Ab Initio Comparision of the (MX\(_2\))\(_2\) Dimers (m=Zn, Cd, Hg; X F, Cl, H), and Study of Relativistic Effects in Crystalline HgF\(_2\)},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-59971},
  year      = {1994},
  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{WissingKauppBoersmaetal.1994,
  author    = {Wissing, Elmo and Kaupp, Martin and Boersma, Jaap and Spek, Anthony L. and Koten, Gerard van},
  title     = {Alkylation Reactions of Dialkylzinc Compounds with 1,4- Diaza- 1,3-butadienes: Cationic and radical Anionic Organozinc Intermediates. Molecular Structure of the Cationic Organozinc Species [MeZn(t-BuN=CHCH=N-t-Bu)]O\(_3\)SCF\(_3\) and Me\(_2\)Zn(bpy)(bpy = 2,2' -Bipyridine)},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-60008},
  year      = {1994},
  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{PaprockiHrobarikHarrimanetal.2020,
  author    = {Paprocki, Valerie and Hrob{\´a}rik, Peter and Harriman, Katie L. M. and Luff, Martin S. and Kupfer, Thomas and Kaupp, Martin and Murugesu, Muralee and Braunschweig, Holger},
  title     = {Ein neutrales 1,4-Diborabenzol als \(\pi\)-Ligand in Actinoidkomplexen},
  series = {Angewandte Chemie},
  volume    = {132},
  journal   = {Angewandte Chemie},
  number    = {31},
  doi       = {10.1002/ange.202004501},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-218181},
  pages     = {13209 -- 13216},
  year      = {2020},
  abstract  = {Die \(\pi\)-Koordination von Aren- und anionischen Heteroarenliganden ist ein allgegenw{\"a}rtiges Strukturmotiv in der metallorganischen Chemie der d- und f-Block-Elemente. Im Gegensatz dazu sind vergleichbare \(\pi\)-Wechselwirkungen neutraler Heteroarene, darunter auch solche neutraler, aromatischer Borheterocyclen, f{\"u}r den f-Block weit weniger verbreitet, was z. T. mit einer geringeren Effektivit{\"a}t der Metall-zu-Ligand-R{\"u}ckbindung in Zusammenhang gebracht werden kann. F{\"u}r die Actinoide sind π-Komplexe mit neutralen Heteroarenliganden sogar g{\"a}nzlich unbekannt. Durch Ausnutzung der außergew{\"o}hnlichen \(\pi\)-Donorst{\"a}rke eines 1,4-Diborabenzols ist es uns nun gelungen, eine Reihe stabiler π-Halbsandwichkomplexe des Thoriums(IV) und des Urans(IV) {\"u}ber einen erstaunlich einfachen Zugang zu generieren: Umsetzung eines 1,4-Diborabenzols mit ThCl\(_{4}\)(dme)\(_{2}\) bzw. UCl\(_{4}\) in Gegenwart einer Lewis-Base. Hierdurch konnten die ersten Beispiele f{\"u}r Actinoidkomplexe mit einem neutralen Borheterocyclus als Sandwich-artigem Liganden erhalten werden. Laut experimentellen und theoretischen Studien ist die starke Actinoid-Heteroaren-Wechselwirkung in diesen Molek{\"u}len im Wesentlichen von elektrostatischer Natur. Der kovalente Hauptbeitrag wird hingegen von der Ligand-zu-Metall-\(\pi\)-Wechselwirkung geleistet, w{\"a}hrend \(\pi\)/δ-R{\"u}ckbindungsanteile kaum eine Rolle spielen.},
  language  = {de}
}
@article{MoesgesHampelKauppetal.1992,
  author    = {M{\"o}sges, Gabriele and Hampel, Frank and Kaupp, Martin and Schleyer, Paul von Rague},
  title     = {Experimental and Theoretical studies of Alkaline earth and Alkali Metal Coordination: X-ray crystal structures of Calcium, Strontium, and Barium Carbazoles and ab Initio Model calculations},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-60127},
  year      = {1992},
  abstract  = {No abstract available},
  subject      = {Anorganische Chemie},
  language  = {en}
}
@article{KauppSchnering1993,
  author    = {Kaupp, Martin and Schnering, Hans Georg von},
  title     = {Gaseous Mercury(IV) Fluoride, HgF\(_4\): An ab Initio Study},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-60038},
  year      = {1993},
  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{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{KauppZyubinCharkinetal.1993,
  author    = {Kaupp, Martin and Zyubin, A. S. and Charkin, O. P. and Schleyer, P. v. R},
  title     = {Non-Empirical Calculation of the Structure and Stability of Borohydrides of Zinc, Cadmium and Mercury of the Types MBH4 and HMBH4},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-46339},
  year      = {1993},
  abstract  = {No abstract available},
  language  = {ru}
}
@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{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{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{KauppStollPreuss1990,
  author    = {Kaupp, Martin and Stoll, H. and Preuss, H.},
  title     = {Pseudopotential Calculations for Methyl Compounds of Zinc and Magnesium},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-46194},
  year      = {1990},
  abstract  = {Pseudopotentials and valence basis sets to be used in calculations for organometallic compounds of zinc and magnesium have been tested in calculations for the M(CH\(_3\))\(_n\) (M = Zn, Mg; n = 1,2) molecules. Valence correlation effects are treated at the SDCI and CEPA levels. The capability of a polarization potential on zinc to account for the valence shell contracting effect of core valence correlation is studied. Properties considered are geometries, force constants, Mulliken populations, ionization potentials, atomization, and binding energies. Differences in bonding between the two dimethyl compounds are discussed.},
  subject      = {Zink},
  language  = {en}
}
@article{SchleyerKauppHampeletal.1992,
  author    = {Schleyer, Paul von Rague and Kaupp, Martin and Hampel, Frank and Bremer, Matthias and Mislow, Kurt},
  title     = {Relationships in the Rotational Barriers of Group 14 Ethane Congeners H\(_3\)X-YH\(_3\) (X, Y = C, Si, Ge, Sn, Pb). Comparisons of ab Initio Pseudopotential and All-Electron Results},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-60147},
  year      = {1992},
  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{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{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{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}
}
@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}
}