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Geschäftsstelle des Kanzlers
Anschrift
Essen
Raum
T02 S00 K23

Funktionen

  • DV-Betreuung, Zentrum für Informations- und Mediendienste (ZIM)
  • Koordinator/in, PC-Service für die Verwaltung

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Die folgenden Publikationen sind in der Online-Universitätsbibliographie der Universität Duisburg-Essen verzeichnet. Weitere Informationen finden Sie gegebenenfalls auch auf den persönlichen Webseiten der Person.

    Artikel in Zeitschriften

  • Tekin, Adem; Jansen, Georg
    How accurate is the density functional theory combined with symmetry-adapted perturbation theory approach for CH-π and π-π interactions? A comparison to supermolecular calculations for the acetylene-benzene dimer.
    In: Physical Chemistry Chemical Physics Jg. 9 (2007) Nr. 14, S. 1680 - 1687
    ISSN: 1463-9076
  • Sicking, Willi; Korth, Hans-Gert; Jansen, Georg; de Groot, Herbert; Sustmann, Reiner
    Hydrogen peroxide decomposition by a non-heme iron(III) catalase mimic: a DFT study.
    In: Chemistry - A European Journal Jg. 13 (2007) Nr. 15, S. 4230 - 4245
    ISSN: 0947-6539; 1521-3765
  • Torheyden, Martin; Jansen, Georg
    A new potential energy surface for the water dimer obtained from separate fits of ab initio electrostatic, induction, dispersion and exchange energy contributions.
    In: Molecular Physics (MPH) Jg. 104 (2006) Nr. 13-14, S. 2101 - 2138
    ISSN: 1362-3028; 0026-8976
  • Weiss, Rainer; Jansen, Georg; Boese, Roland; Epple, Matthias
    Ein Cyanokomplex mit Kupfer in vier unterschiedlichen Koordinationsumgebungen
    In: Zeitschrift für anorganische und allgemeine Chemie (ZAAC) Jg. 632 (2006) Nr. 12-13, S. 2142
    ISSN: 0044-2313; 0372-7874; 0863-1778; 0863-1786; 1521-3749
  • Orzechowski, Lars; Jansen, Georg; Harder, Sjoerd
    Synthesis, Structure, and Reactivity of a Stabilized Calcium Carbene: R2CCa.
    In: Journal of the American Chemical Society Jg. 128 (2006) Nr. 45, S. 14676 - 14684
    ISSN: 0002-7863; 1520-5126
  • Angyan, Janos G.; Chipot, Christophe; Dehez, Francois; Hattig, Christof; Jansen, Georg; Millot, Claude
    Software news and updates. OPEP: A tool for the optimal partitioning of electric properties.
    In: Journal of Computational Chemistry Jg. 24 (2003) Nr. 8, S. 997 - 1008
    ISSN: 1096-987X; 0192-8651
  • Hesselmann, Andreas; Jansen, Georg
    The helium dimer potential from a combined density functional theory and symmetry-adapted perturbation theory approach using an exact exchange-correlation potential.
    In: Physical Chemistry Chemical Physics Jg. 5 (2003) Nr. 22, S. 5010 - 5014
    ISSN: 1463-9076
  • Hesselmann, Andreas; Jansen, Georg
    First-order intermolecular interaction energies from Kohn-Sham orbitals.
    In: Chemical Physics Letters Jg. 357 (2002) Nr. 5,6, S. 464 - 470
    ISSN: 0009-2614; 1873-4448
  • Hesselmann, Andreas; Jansen, Georg
    Intermolecular dispersion energies from time-dependent density functional theory.
    In: Chemical Physics Letters Jg. 367 (2002) Nr. 5,6, S. 778 - 784
    ISSN: 0009-2614; 1873-4448
  • Hesselmann, Andreas; Jansen, Georg
    Intermolecular induction and exchange-induction energies from coupled-perturbed Kohn-Sham density functional theory.
    In: Chemical Physics Letters Jg. 362 (2002) Nr. 3,4, S. 319 - 325
    ISSN: 0009-2614; 1873-4448
  • Raub, Stephan; Jansen, Georg
    A quantitative measure of bond polarity from the electron localization function and the theory of atoms in molecules.
    In: Theoretical Chemistry Accounts Jg. 106 (2001) Nr. 3, S. 223 - 232
    ISSN: 1432-881X
  • Jansen, Georg
    Convergence of multipole expanded intermolecular interaction energies for Gaussian-type-function and Slater-type-function basis sets.
    In: Theoretical Chemistry Accounts Jg. 104 (2000) Nr. 6, S. 499 - 506
    ISSN: 1432-881X
  • Hesselmann, Andreas; Jansen, Georg
    First-order intermolecular interaction energies from coupled-cluster Brueckner orbitals.
    In: The Journal of Chemical Physics Jg. 112 (2000) Nr. 16, S. 6949 - 6952
    ISSN: 1089-7690; 0021-9606
  • Torheyden, Martin; Jansen, Georg
    Interaction energies for the water dimer by supermolecular methods and symmetry-adapted perturbation theory: the role of bond functions and convergence of basis subsets.
    In: Theoretical Chemistry Accounts Jg. 104 (2000) Nr. 5, S. 370 - 384
    ISSN: 1432-881X
  • Soetens, Jean-Christophe; Jansen, Georg; Millot, Claude
    Molecular dynamics simulation of liquid CCl4 with a new polarizable potential model.
    In: Molecular Physics (MPH) Jg. 96 (1999) Nr. 7, S. 1003 - 1012
    ISSN: 1362-3028; 0026-8976
  • Jansen, Georg; Schubart, Martin; Findeis, Bernd; Gade, Lutz H.; Scowen, Ian J.; McPartlin, Mary
    Unsupported Ti-Co and Zr-Co Bonds in Heterobimetallic Complexes: A Theoretical Description of Metal-Metal Bond Polarity.
    In: Journal of the American Chemical Society Jg. 120 (1998) Nr. 29, S. 7239 - 7251
    ISSN: 0002-7863; 1520-5126
  • Soetens, Jean-Christophe; Millot, Claude; Chipot, Christophe; Jansen, Georg; Angyan, Janos G.; Maigret, Bernard
    Effect of polarizability on the potential of mean force of two cations. The guanidinium-guanidinium ion pair in water.
    In: The Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry Jg. 101 (1997) Nr. 50, S. 10910 - 10917
    ISSN: 1520-6106; 1089-5647
  • Jansen, Georg; Hattig, Christof; Hess, Bernd A.; Angyan, Janos G.
    Intermolecular interaction energies by topologically partitioned electric properties. 1. Electrostatic and induction energies in one-center and multicenter multipole expansions.
    In: Molecular Physics (MPH) Jg. 88 (1996) Nr. 1, S. 69 - 92
    ISSN: 1362-3028; 0026-8976
  • Jansen, Georg; Colonna, Francois; Angyan, Janos G.
    Mixed quantum-classical calculations on the water molecule in liquid phase: influence of a polarizable environment on electronic properties.
    In: International Journal of Quantum Chemistry Jg. 58 (1996) Nr. 3, S. 251 - 265
    ISSN: 0020-7608; 1097-461X
  • Jansen, Georg
    The rovibrational spectrum of the ArCO complex calculated from a semiempirically extrapolated coupled pair functional potential energy surface.
    In: The Journal of Chemical Physics Jg. 105 (1996) Nr. 1, S. 89 - 103
    ISSN: 1089-7690; 0021-9606
  • Jansen, Georg; Angyan, Janos G.; Colonna, Francois
    SOLVENT: A computer program for generalized self-consistent reaction field calculations.
    In: AIP Conference Proceedings Jg. 330 (1995) Nr. E.C.C.C. 1 Computational Chemistry, S. 44 - 51
    ISSN: 0094-243X
  • Jansen, Georg
    Coupled-pair functional calculations on the Ar-CO and Ar2 van der Waals complexes.
    In: Chemical Physics Letters Jg. 223 (1994) Nr. 4, S. 377 - 382
    ISSN: 0009-2614; 1873-4448
  • Angyan, Janos G.; Jansen, Georg; Loos, Michel; Haettig, Christof; Hess, Bernd A.
    Distributed polarizabilities using the topological theory of atoms in molecules.
    In: Chemical Physics Letters Jg. 219 (1994) Nr. 3-4, S. 267 - 273
    ISSN: 0009-2614; 1873-4448
  • Colonna, Francois; Jolly, Luc-Henri; Poirier, Raymond A.; Angyan, Janos G.; Jansen, Georg
    OSIPE - a tool for scientific programming in FORTRAN.
    In: Computer Physics Communications Jg. 81 (1994) Nr. 3, S. 293 - 317
    ISSN: 0010-4655; 1879-2944
  • Jansen, Georg; Hess, Bernd A.; Marian, Christel M.; Angyan, Janos G.
    Ab initio determination of electronic energy splitting and transition rates for imidogen in argon matrixes.
    In: The Journal of Physical Chemistry Jg. 97 (1993) Nr. 39, S. 10011 - 10020
    ISSN: 1943-3018; 0092-7325; 0022-3654
  • Pizlo, Artur; Jansen, Georg; Hess, Bernd Artur; Von Niessen, Wolfgang
    Ionization potential and electron affinity of the gold atom and the gold hydride (AuH) molecule by all-electron, relativistic, configuration-interaction and propagator techniques.
    In: The Journal of Chemical Physics Jg. 98 (1993) Nr. 5, S. 3945 - 3951
    ISSN: 1089-7690; 0021-9606
  • Blindauer, Carsten; Winter, Martin; Sild, Olev; Jansen, Georg; Hess, Bernd A.; Schurath, Ulrich
    Rotational-electronic splitting of matrix-isolated imidogen(NH/ND) a 1D in argon cages of Oh and D3h symmetry: spectroscopic analysis and theoretical interpretation.
    In: The Journal of Physical Chemistry Jg. 97 (1993) Nr. 39, S. 10002 - 10010
    ISSN: 1943-3018; 0092-7325; 0022-3654
  • Jansen, Georg; Hess, Bernd A.; Wormer, Paul E. S.
    Theoretical investigation of the rovibrational fine-structure spectrum of argon-imidogen in its electronic ground state.
    In: Chemical Physics Letters Jg. 214 (1993) Nr. 1, S. 103 - 108
    ISSN: 0009-2614; 1873-4448
  • Jansen, Georg; Hess, Bernd Artur
    Ab initio interaction potentials between an argon atom and the imidogen (NH) radical in the states X 3S-, a 1D, and b 1S+.
    In: Chemical Physics Letters Jg. 192 (1992) Nr. 1, S. 21 - 28
    ISSN: 0009-2614; 1873-4448
  • Samzow, Reinhard; Hess, Bernd A.; Jansen, Georg
    Comment on Relativistic linear combination of Gaussian-type orbitals density-functional method based on a two-component formalism with external field projectors.
    In: The Journal of Chemical Physics Jg. 96 (1992) Nr. 8, S. 6320 - 6321
    ISSN: 1089-7690; 0021-9606
  • Samzow, Reinhard; Hess, Bernd A.; Jansen, Georg
    The two-electron terms of the no-pair Hamiltonian.
    In: The Journal of Chemical Physics Jg. 96 (1992) Nr. 2, S. 1227 - 1231
    ISSN: 1089-7690; 0021-9606
  • Jansen, Georg; Hess, Bernd A.
    Relativistic all-electron configuration interaction calculations on the gold atom.
    In: Chemical Physics Letters Jg. 160 (1989) Nr. 5-6, S. 507 - 513
    ISSN: 0009-2614; 1873-4448