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Prof. Dr. rer. nat. Georg Jansen

Fakultät für Chemie

Raum
S05 V07 E18
Telefon
+49(0)201/183-4421
Telefax
+49(0)201/183-4252
E-Mail
georg.jansen@uni-due.de
Webseite
http://www.uni-due.de/chemie/ak_jansen/

Funktionen

  • Universitätsprofessor/in, Theoretische Chemie

  • Gruppe der Professorinnen und Professoren, Fakultätsrat

  • Universitätsprofessor/in, Organische Chemie

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

  • van der Vight, Felix; Schulz, Stephan; Jansen, Georg
    Effects of Dispersion and Charge-Transfer Interactions on Structures of Heavy Chalcogenide Compounds : A Quantum Chemical Case Study for (Et₂Bi)₂Te
    In: ChemPlusChem Jg. 87 (2022) Nr. 4, e202100487
    Online Volltext: dx.doi.org/ (Open Access)
  • Gehlhaar, Alexander; Wölper, Christoph; van der Vight, Felix; Jansen, Georg; Schulz, Stephan
    Noncovalent Intra- and Intermolecular Interactions in Peri-Substituted Pnicta Naphthalene and Acenaphthalene Complexes
    In: European Journal of Inorganic Chemistry (2022) Nr. 2, e202100883
    Online Volltext: dx.doi.org/ (Open Access)
  • Naglav-Hansen, Dominik; Dzialkowski, Kevin; Tobey, Briac; Wölper, Christoph; Jansen, Georg; Schulz, Stephan
    Hungry for charge : How a beryllium scorpionate complex "eats" a weakly coordinating anion
    In: Zeitschrift für Naturforschung B, Journal of Chemical Sciences Jg. 75 (2020) Nr. 5, S. 503 - 508
    Online Volltext: dx.doi.org/
  • Gottschalk, Hannes C.; Poblotzki, Anja; Fatima, Mariyam; Obenchain, Daniel A.; Pérez, Cristóbal; Antony, Jens; Auer, Alexander A.; Baptista, Leonardo; Benoit, David M.; Bistoni, Giovanni; Bohle, Fabian; Dahmani, Rahma; Firaha, Dzmitry; Grimme, Stefan; Hansen, Andreas; Harding, Michael E.; Hochlaf, Majdi; Holzer, Christof; Jansen, Georg; Klopper, Wim; Kopp, Wassja A.; Krasowska, Małgorzata; Kröger, Leif C.; Leonhard, Kai; Mogren Al-Mogren, Muneerah; Mouhib, Halima; Neese, Frank; Pereira, Max N.; Prakash, Muthuramalingam; Ulusoy, Inga S.; Mata, Ricardo A.; Suhm, Martin A.; Schnell, Melanie
    The first microsolvation step for furans : New experiments and benchmarking strategies
    In: The Journal of Chemical Physics (JCP) Jg. 152 (2020) Nr. 16, S. 164303
    Online Volltext: dx.doi.org/ (Open Access)
  • Saccone, Marco; Spengler, Matthias; Pfletscher, Michael; Kuntze, Kim; Virkki, Matti; Wölper, Christoph; Gehrke, Robert; Jansen, Georg; Metrangolo, Pierangelo; Priimagi, Arri; Giese, Michael R. A.
    Photoresponsive Halogen-Bonded Liquid Crystals : The Role of Aromatic Fluorine Substitution
    In: Chemistry of Materials Jg. 31 (2019) Nr. 2, S. 462 - 470
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Boese, A. Daniel; Jansen, Georg
    ZMP-SAPT : DFT-SAPT using ab initio densities
    In: The Journal of Chemical Physics (JCP) Jg. 150 (2019) Nr. 15,
    Online Volltext: dx.doi.org/ (Open Access)
  • Podeszwa, Rafał; Jansen, Georg
    Comment on "Long-Range Repulsion Between Spatially Confined van der Waals Dimers"
    In: Physical Review Letters Jg. 120 (2018) Nr. 25, S. 258901
    Online Volltext: dx.doi.org/
  • Haack, Rebekka; Schulz, Stephan; Jansen, Georg
    Dispersion interactions between neighboring Bi atoms in (BiH₃)₂ and Te(BiR₂)₂
    In: Journal of Computational Chemistry Jg. 39 (2018) Nr. 20, S. 1413 - 1423
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Hayduk, Matthias; Riebe, Steffen; Rudolph, Kevin; Schwarze, Sandrina; van der Vight, Felix; Daniliuc, Constantin G.; Jansen, Georg; Voskuhl, Jens
    Molecular Recognition of Spermine using Aggregation-Induced Emission
    In: Israel Journal of Chemistry Jg. 58 (2018) Nr. 8, S. 927 - 931
    Online Volltext: dx.doi.org/
  • Naglav, Dominik; Tobey, Briac; Dzialkowski, Kevin; Bläser, Dieter; Wölper, Christoph; Jansen, Georg; Schulz, Stephan
    Solvent-induced ion separation of a beryllium scorpionate complex
    In: Dalton Transactions Jg. 47 (2018) Nr. 36, S. 12511 - 12515
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Jansen, Georg
    Spherical box model for London dispersion interactions
    In: Theoretical Chemistry Accounts Jg. 137 (2018) Nr. 12, S. 171
    Online Volltext: dx.doi.org/
  • Octa-Smolin, Frescilia; Van Der Vight, Felix; Yadav, Rohan; Bhangu, Jasmine; Soloviova, Kateryna; Wölper, Christoph; Daniliuc, Constantin G.; Strassert, Cristian A.; Somnitz, Holger; Jansen, Georg; Niemeyer, Jochen
    Synthesis of Furan-Annelated BINOL Derivatives : Acid-Catalyzed Cyclization Induces Partial Racemization
    In: The Journal of Organic Chemistry Jg. 83 (2018) Nr. 23, S. 14568 - 14587
    Online Volltext: dx.doi.org/
  • Gottschalk, Hannes C.; Poblotzki, Anja; Suhm, Martin A.; Al-Mogren, Muneerah M.; Antony, Jens; Auer, Alexander A.; Baptista, Leonardo; Benoit, David M.; Bistoni, Giovanni; Bohle, Fabian; Dahmani, Rahma; Firaha, Dzmitry; Grimme, Stefan; Hansen, Andreas; Harding, Michael E.; Hochlaf, Majdi; Holzer, Christof; Jansen, Georg; Klopper, Wim; Kopp, Wassja A.; Kröger, Leif C.; Leonhard, Kai; Mouhib, Halima; Neese, Frank; Pereira, Max N.; Ulusoy, Inga S.; Wuttke, Axel; Mata, Ricardo A.
    The furan microsolvation blind challenge for quantum chemical methods : first steps
    In: The Journal of Chemical Physics (JCP) Jg. 148 (2018) Nr. 1,
    Online Volltext: dx.doi.org/ (Open Access)
  • Riebe, Steffen; Vallet, Cecilia; van der Vight, Felix; Gonzalez-Abradelo, Dario; Wölper, Christoph; Strassert, Cristian A.; Jansen, Georg; Knauer, Shirley; Voskuhl, Jens
    Aromatic thioethers as novel luminophores with aggregation-induced fluorescence and phosphorescence
    In: Chemistry - A European Journal Jg. 23 (2017) Nr. 55, S. 13660 - 13668
    Online Volltext: dx.doi.org/
  • Kuchenbecker, Dennis; Uhl, Felix; Forbert, Harald; Jansen, Georg; Marx, Dominik
    Constructing accurate interaction potentials to describe the microsolvation of protonated methane by helium atoms
    In: Physical Chemistry, Chemical Physics (PCCP) Jg. 19 (2017) Nr. 12, S. 8307 - 8321
    Online Volltext: dx.doi.org/
  • Wölper, Christoph; Jansen, Georg; Schulz, Stephan; Dzialkowski, Kevin; Tobey, Briac; Naglav, Dominik
    Insights into Molecular Beryllium–Silicon Bonds
    In: Inorganics Jg. 5 (2017) Nr. 2, 22
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Bernhard, Dominic; Dietrich, Fabian; Fatima, Mariyam; Perez, Cristobal; Poblotzki, Anja; Jansen, Georg; Suhm, Martin A.; Schnell, Melanie; Gerhards, Markus
    Multi-spectroscopic and theoretical analyses on the diphenyl ether–tert-butyl alcohol complex in the electronic ground and electronically excited state
    In: Physical Chemistry, Chemical Physics (PCCP) Jg. 19 (2017) Nr. 27, S. 18076 - 18088
    Online Volltext: dx.doi.org/ (Open Access)
  • Bauer, Heiko; Orzechowski, Lars; Escalona, Ana; Jansen, Georg; Harder, Sjoerd
    Synthesis and Structure of a Dimeric Iminophosphorane Stabilized Zinc Carbene : (ZnCR₂)₂
    In: Organometallics Jg. 36 (2017) Nr. 24, S. 4883 - 4890
    Online Volltext: dx.doi.org/
  • Naglav, Dominik; Tobey, Briac; Lyhs, Benjamin; Römer, Beate; Bläser, Dieter; Wölper, Christoph; Jansen, Georg; Schulz, Stephan
    Synthesis, Solid-State Structure, and Bonding Analysis of a Homoleptic Beryllium Azide
    In: Angewandte Chemie International Edition Jg. 56 (2017) Nr. 29, Special Issue: 100th Anniversary of the Royal Australian Chemical Institute, S. 8559 - 8563
    Online Volltext: dx.doi.org/; Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Ganesamoorthy, C.; Heimann, S.; Hölscher, S.; Haack, Rebekka; Wölper, Christoph; Jansen, Georg; Schulz, Stephan
    Synthesis, structure and dispersion interactions in bis(1,8-naphthalendiyl)distibine
    In: Dalton Transactions Jg. 46 (2017) Nr. 28, S. 9227 - 9234
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Stienen, Christian; Gondzik, Sebastian; Gehlhaar, Alexander; Haack, Rebekka; Wölper, Christoph; Jansen, Georg; Schulz, Stephan
    (MeZn)2(µ-ƞ2:ƞ2-N6Ph2) - A Powerful Starting Reagent for the Synthesis of Metal Hexazene Complexes
    In: Organometallics Jg. 35 (2016) Nr. 7, S. 1022 - 1029
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Mussard, Bastien; Rocca, Dario; Jansen, Georg; Ángyán, János G.
    Dielectric Matrix Formulation of Correlation Energies in the Random Phase Approximation : Inclusion of Exchange Effects
    In: Journal of Chemical Theory and Computation Jg. 12 (2016) Nr. 5, S. 2191 - 2202
    Online Volltext: dx.doi.org/ (Open Access)
  • Naglav, Dominik; Tobey, Briac; Wölper, Christoph; Bläser, Dieter; Jansen, Georg; Schulz, Stephan
    On the Stability of Trimeric Beryllium Hydroxide Scorpionate Complexes
    In: European Journal of Inorganic Chemistry (2016) Nr. 15-16, S. 2424 - 2431
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Lao, Ka Un; Schäffer, Rainer; Jansen, Georg; Herbert, John M.
    Accurate description of intermolecular interactions involving ions using symmetry-adapted perturbation theory
    In: Journal of Chemical Theory and Computation Jg. 11 (2015) Nr. 6, S. 2473 - 2486
    Online Volltext: dx.doi.org/
  • Naglav, Dominik; Neumann, Alexander; Bläser, Dieter; Wölper, Christoph; Haack, Rebekka; Jansen, Georg; Schulz, Stephan
    Bonding situation in Be[N(SiMe3)2]2 : an experimental and computational study
    In: Chemical Communications: ChemComm Jg. 51 (2015) Nr. 18, S. 3889 - 3891
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Gondzik, Sebastian; Wölper, Christoph; Haack, Rebekka; Jansen, Georg; Schulz, Stephan
    MeL2Zn2(μ-1,6-Ph2-N6) : a building block for new hexazene complexes
    In: Dalton Transactions Jg. 44 (2015) S. 15703 - 15711
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Hirschberg, Markus E.; Barthen, Peter; Frohn, Hermann-Josef; Bläser, Dieter; Tobey, Briac; Jansen, Georg
    Interaction of the electrophilic bis(pentafluorophenyl)iodonium cation [(C6F5)2I]+ with the ambident pseudohalogenide anions [SCN]− and [CN]−
    In: Journal of Fluorine Chemistry Jg. 163 (2014) S. 28 - 33
    Online Volltext: dx.doi.org/
  • Jansen, Georg
    Molecules and wave functions : An introduction to quantum chemistry
    In: Chemie in unserer Zeit Jg. 48 (2014) Nr. 3, S. 170 - 188
    Online Volltext: dx.doi.org/
  • Gondzik, Sebastian; Schulz, Stephan; Bläser, Dieter; Wölper, Christoph; Haack, Rebekka; Jansen, Georg
    Reactions of a Zn(I) complex with group 14 azides : formation of zinc azide and zinc hexazene complexes
    In: Chemical Communications: ChemComm Jg. 50 (2014) Nr. 8, S. 927 - 929
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Jansen, Georg
    Symmetry-adapted perturbation theory based on density functional theory for noncovalent interactions
    In: Wiley Interdisciplinary Reviews: Computational Molecular Science Jg. 4 (2014) Nr. 2, S. 127 - 144
    Online Volltext: dx.doi.org/
  • Heimann, Stefan; Kuczkowski, Andreas; Bläser, Dieter; Wölper, Christoph; Haack, Rebekka; Jansen, Georg; Schulz, Stephan
    Syntheses an solid state structures of Et2SbTeEt and Et2BiTeEt
    In: European Journal of Inorganic Chemistry Jg. 2014 (2014) Nr. 28, S. 4858 - 4864
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Heimann, Stefan; Bläser, Dieter; Wölper, Christoph; Haack, Rebekka; Jansen, Georg; Schulz, Stephan
    The bonding situation in triethylchalcogenostiboranes : polarized single bonds vs. double bonds
    In: Dalton Transactions Jg. 43 (2014) S. 14772 - 14777
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Schäffer, Rainer; Jansen, Georg
    Single-determinant-based symmetry-adapted perturbation theory without single-exchange approximation
    In: Molecular Physics (MPH) Jg. 111 (2013) Nr. 16-17, S. 2570 - 2584
    Online Volltext: dx.doi.org/
  • Schulz, Stephan; Kuczkowski, Andreas; Bläser, Dieter; Wölper, Christoph; Jansen, Georg; Haack, Rebekka
    Solid state structures of trialkylbismuthanes BiR3 (R = Me, i-Pr)
    In: Organometallics Jg. 32 (2013) Nr. 19, S. 5445 - 5450
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Lyhs, Benjamin; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan; Haack, Rebekka; Jansen, Georg
    Synthesis and structure of base-stabilized germanium(II) diazide IPrGe(N₃)₂
    In: Inorganic Chemistry Jg. 52 (2013) Nr. 12, S. 7236 - 7241
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Böning, Markus; Stuhlmann, Benjamin; Engler, Gernot; Busker, Matthias; Häber, Thomas; Tekin, Adem; Jansen, Georg; Kleinermanns, Karl
    Towards a spectroscopic and theoretical identification of the isolated building blocks of the benzene-acetylene cocrystal
    In: ChemPhysChem Jg. 14 (2013) Nr. 4, S. 837 - 846
    Online Volltext: dx.doi.org/
  • Lyhs, Benjamin; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan; Jansen, Georg
    A Comparison of the Solid-State Structures of Halogen Azides XN₃ (X = Cl, Br, I)
    In: Angewandte Chemie International Edition Jg. 51 (2012) Nr. 51, S. 12859 - 12863
    Online Volltext: dx.doi.org/; Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Sánchez-García, Elsa; Jansen, Georg
    Competition between H···π and H···O interactions in furan heterodimers
    In: Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols Jg. 116 (2012) Nr. 23, S. 5689 - 5697
    Online Volltext: dx.doi.org/
  • Lyhs, Benjamin; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan; Jansen, Georg
    First Structural Characterization of Neutral, Base-Stabilized Group 15-Pentaazides - Single Crystal X-ray Structures of dmap-As(N3)5
    In: Inorganic Chemistry Jg. 51 (2012) Nr. 10, S. 5897 - 5902
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Schäffer, Rainer; Jansen, Georg
    Intermolecular exchange-induction energies without overlap expansion
    In: Theoretical Chemistry Accounts Jg. 131 (2012) Nr. 6, S. 1235
    Online Volltext: dx.doi.org/
  • Kuchenbecker, Dennis; Jansen, Georg
    Intermolecular interactions in weak donor–acceptor complexes from symmetry-adapted perturbation and coupled-cluster theory : Tetracyanoethylene–Benzene and Tetracyanoethylene–p-Xylene
    In: ChemPhysChem Jg. 13 (2012) Nr. 11, S. 2769 - 2776
    Online Volltext: dx.doi.org/
  • Gould, Tim; Jansen, Georg; Tokatly, I.V.; Dobson, John F.
    Quantum continuum mechanics made simple
    In: The Journal of Chemical Physics (JCP) Jg. 136 (2012) Art. Nr. 204115
    Online Volltext: dx.doi.org/
  • Lyhs, Benjamin; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan; Jansen, Georg
    Solid-State Structure of Bromine Azide
    In: Angewandte Chemie International Edition Jg. 51 (2012) Nr. 8, S. 1970 - 1974
    Online Volltext: dx.doi.org/; Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Lyhs, Benjamin; Bläser, Dieter; Wölper, Christoph; Haack, Rebekka; Jansen, Georg; Schulz, Stephan
    Structural Characterization of Amidinatobismuth(III) Diazides
    In: European Journal of Inorganic Chemistry Jg. 2012 (2012) Nr. 27, S. 4350 - 4355
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Gutschank, Benjamin; Schulz, Stephan; Marcinkowski, Michael; Jansen, Georg; Bandmann, Heinz; Bläser, Dieter; Wölper, Christoph
    Synthesis, Structure, Tautomerism and Reactivity of Methanetrisamidines
    In: Angewandte Chemie International Edition Jg. 51 (2012) Nr. 43, S. 10893 - 10897
    Online Volltext: dx.doi.org/; Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Toulouse, Julien; Zhu, Wuming; Savin, Andreas; Jansen, Georg; Ángyán, János G.
    Closed-shell ring coupled cluster doubles theory with range separation applied on weak intermolecular interactions
    In: The Journal of Chemical Physics (JCP) Jg. 135 (2011) Nr. 8,
    Online Volltext: dx.doi.org/
  • Daniel Boese, A.; Forbert, Harald; Masia, Marco; Tekin, Adem; Marx, Dominik; Jansen, Georg
    Constructing simple yet accurate potentials for describing the solvation of HCl/water clusters in bulk helium and nanodroplets
    In: Physical Chemistry, Chemical Physics (PCCP) Jg. 13 (2011) Nr. 32, S. 14550 - 14564
    Online Volltext: dx.doi.org/
  • Ángyán, János G.; Liu, Ru-Fen; Toulouse, Julien; Jansen, Georg
    Correlation energy expressions from the adiabatic-connection fluctuation-dissipation theorem approach
    In: Journal of Chemical Theory and Computation Jg. 7 (2011) Nr. 10, S. 3116 - 3130
    Online Volltext: dx.doi.org/
  • Boese, A. Daniel; Jansen, Georg; Torheyden, Martin; Höfener, Sebastian; Klopper, Wim
    Effects of counterpoise correction and basis set extrapolation on the MP2 geometries of hydrogen bonded dimers of ammonia, water, and hydrogen fluoride
    In: Physical Chemistry, Chemical Physics (PCCP) Jg. 13 (2011) Nr. 3, S. 1230 - 1238
    Online Volltext: dx.doi.org/
  • Leforestier, Claude; Tekin, Adem; Jansen, Georg; Herman, Michel
    First principles potential for the acetylene dimer and refinement by fitting to experiments
    In: The Journal of Chemical Physics (JCP) Jg. 135 (2011) Nr. 23, Art. Nr. 234306
    Online Volltext: dx.doi.org/
  • Schulz, Stephan; Lyhs, Benjamin; Jansen, Georg; Bläser, Dieter; Wölper, Christoph
    Syntheses and Structures of Triazides of Heavy Group 15 Elements
    In: Chemical Communications: ChemComm Jg. 47 (2011) Nr. 12, S. 3401 - 3403
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Lyhs, Benjamin; Jansen, Georg; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan
    Synthesis and Structural Characterization of Antimony Polyazides
    In: Chemistry - A European Journal Jg. 17 (2011) Nr. 41, S. 11394 - 11398
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Kuchenbecker, Dennis; Harder, Sjoerd; Jansen, Georg
    Insight in Structures of Superbulky Metallocenes with the CpBIG Ligand : Theoretical Considerations of Decaphenyl Metallocenes
    In: Zeitschrift für Anorganische und Allgemeine Chemie (ZAAC) Jg. 636 (2010) Nr. 12, S. 2257 - 2261
    Online Volltext: dx.doi.org/
  • Jansen, Georg; Bläser, Dieter; Boese, Roland; Klärner, Frank-Gerrit; Kahlert, Björn
    Intramolecular Electronic Interactions between Nonconjugated Arene and Quinone Chromophores
    In: Journal of the American Chemical Society: JACS Jg. 132 (2010) Nr. 25, S. 8581 - 8592
    Online Volltext: dx.doi.org/
  • Jansen, Georg; Liu, Ru-Fen; Ángyán, János G.
    On the equivalence of ring-coupled cluster and adiabatic connection fluctuation-dissipation theorem random phase approximation correlation energy expressions
    In: The Journal of Chemical Physics (JCP) Jg. 133 (2010) Nr. 15, S. 154106
    Online Volltext: dx.doi.org/
  • Sánchez-García, Elsa; Mardyukov, Artur; Tekin, Adem; Crespo-Otero, Rachel; Montero, Luis A.; Sander, Wolfram; Jansen, Georg
    Ab initio and matrix isolation study of the acetylene-furan dimer
    In: Chemical Physics Jg. 343 (2008) Nr. 2-3, S. 168 - 185
    Online Volltext: dx.doi.org/
  • Spielmann, Jan; Jansen, Georg; Bandmann, Heinz; Harder, Sjoerd
    Calcium amidoborane hydrogen storage materials : Crystal structures of decomposition products
    In: Angewandte Chemie International Edition Jg. 47 (2008) Nr. 33, S. 6290 - 6295
    Online Volltext: dx.doi.org/
  • Fiethen, Annamaria; Jansen, Georg; Hesselmann, Andreas; Schütz, Martin
    Stacking energies for average B-DNA structures from the combined density functional theory and intermolecular perturbation theory approach
    In: Journal of the American Chemical Society: JACS Jg. 130 (2008) Nr. 6, S. 1802 - 1803
  • 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 (PCCP) Jg. 9 (2007) Nr. 14, S. 1680 - 1687
    Online Volltext: dx.doi.org/
  • 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
    Online Volltext: dx.doi.org/
  • 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
    Online Volltext: dx.doi.org/
  • Weiss, Rainer; Jansen, Georg; Boese, Roland; Epple, Matthias
    Crystal structure and thermochemical reactivity of an unusual copper complex that contains copper in four different coordination geometries
    In: Dalton Transactions (2006) Nr. 15, S. 1831 - 1835
    Online Volltext: dx.doi.org/
  • Hesselmann, Andreas; Jansen, Georg; Schütz, Martin
    Interaction energy contributions of Hydrogen-Bonded and Stacked Structures of the Adenine-Thymine and Guanine-Cytosine DNA Base Pairs from the combined Density Functional Theory and Intermolecular Perturbation Theory Approach
    In: Journal of the American Chemical Society: JACS Jg. 128 (2006) S. 11730 - 11731
  • Orzechowski, Lars; Jansen, Georg; Harder, Sjoerd
    Synthesis, Structure, and Reactivity of a Stabilized Calcium Carbene : R2CCa
    In: Journal of the American Chemical Society: JACS Jg. 128 (2006) Nr. 45, S. 14676 - 14684
    Online Volltext: dx.doi.org/
  • Heßelmann, Andreas; Jansen, Georg; Schütz, Martin
    Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting : A new efficient method to study intermolecular interaction energies
    In: The Journal of Chemical Physics (JCP) Jg. 122 (2005) Nr. 1, S. 014103
    Online Volltext: dx.doi.org/
  • Vissers, Gé W.M.; Heßelmann, Andreas; Jansen, Georg; Wormer, Paul E.S.; Avoird, Ad van der
    New CO-CO interaction potential tested by rovibrational calculations
    In: The Journal of Chemical Physics (JCP) Jg. 122 (2005) Nr. 5, S. 054306
    Online Volltext: dx.doi.org/
  • Angyan, Janos G.; Chipot, Christophe; Dehez, Francois; Hattig, Christof; Jansen, Georg; Millot, Claude
    OPEP : A tool for the optimal partitioning of electric properties
    In: Journal of Computational Chemistry Jg. 24 (2003) Nr. 8, S. 997 - 1008
    Online Volltext: dx.doi.org/
  • 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 (PCCP) Jg. 5 (2003) Nr. 22, S. 5010 - 5014
    Online Volltext: dx.doi.org/
  • 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
    Online Volltext: dx.doi.org/
  • 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
    Online Volltext: dx.doi.org/
  • 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
    Online Volltext: dx.doi.org/
  • 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
    Online Volltext: dx.doi.org/
  • 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
    Online Volltext: dx.doi.org/
  • Hesselmann, Andreas; Jansen, Georg
    First-order intermolecular interaction energies from coupled-cluster Brueckner orbitals
    In: The Journal of Chemical Physics (JCP) Jg. 112 (2000) Nr. 16, S. 6949 - 6952
    Online Volltext: dx.doi.org/
  • 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
    Online Volltext: dx.doi.org/
  • 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
    Online Volltext: dx.doi.org/
  • 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: JACS Jg. 120 (1998) Nr. 29, S. 7239 - 7251
    Online Volltext: dx.doi.org/
  • 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: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry Jg. 101 (1997) Nr. 50, S. 10910 - 10917
    Online Volltext: dx.doi.org/
  • 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
    Online Volltext: dx.doi.org/
  • 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
    Online Volltext: dx.doi.org/
  • 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 (JCP) Jg. 105 (1996) Nr. 1, S. 89 - 103
    Online Volltext: dx.doi.org/
  • Haettig, Christof; Jansen, Georg; Hess, Bernd A.; Angyan, Janos G.
    Topologically partitioned dynamic polarizabilities using the theory of atoms in molecules
    In: Canadian Journal of Chemistry Jg. 74 (1996) Nr. 6, S. 976 - 987
    Online Volltext: dx.doi.org/
  • 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
    Online Volltext: dx.doi.org/
  • 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
    Online Volltext: dx.doi.org/
  • 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
    Online Volltext: dx.doi.org/
  • 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
    Online Volltext: dx.doi.org/
  • 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 (JCP) Jg. 98 (1993) Nr. 5, S. 3945 - 3951
    Online Volltext: dx.doi.org/
  • Blindauer, Carsten; Winter, Martin; Sild, Olev; Jansen, Georg; Hess, Bernd A.; Schurath, Ulrich
    Rotational-electronic splitting of matrix-isolated imidogen(NH/ND) a 1.DELTA. 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
    Online Volltext: dx.doi.org/
  • 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
    Online Volltext: dx.doi.org/
  • Jansen, Georg; Hess, Bernd Artur
    Ab initio interaction potentials between an Ar atom and the NH radical in the states X 3Σ−, a 1Δ and b 1Σ+
    In: Chemical Physics Letters Jg. 192 (1992) Nr. 1, S. 21 - 28
    Online Volltext: dx.doi.org/
  • 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 (JCP) Jg. 96 (1992) Nr. 8, S. 6320 - 6321
    Online Volltext: dx.doi.org/
  • Samzow, Reinhard; Hess, Bernd A.; Jansen, Georg
    The two‐electron terms of the no‐pair Hamiltonian
    In: The Journal of Chemical Physics (JCP) Jg. 96 (1992) Nr. 2, S. 1227 - 1231
    Online Volltext: dx.doi.org/
  • 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
    Online Volltext: dx.doi.org/

    • Beiträge in Sammelwerken und Tagungsbänden

  • Ángyán, János; Dobson, John; Jansen, Georg; Gould, Tim
    Introduction
    In: London Dispersion Forces in Molecules, Solids and Nano-structures: An Introduction to Physical Models and Computational Methods / Ángyán, Jánós G; Dobson, John; Jansen, Georg (Hrsg.) 2020, S. 1 - 434
    Online Volltext: dx.doi.org/
  • Jansen, Georg; Angyan, Janos G.; Colonna, Francois
    Solvent : A computer program for generalized self-consistent reaction field calculations
    In: Computational Chemistry: FECS Conference, Nancy, France, May 1994 / First European Conference on Computational Chemistry (ECCC 1) ; 23-27 May 1994, Nancy, France / Bernardi, Fernando; Rivail, Jean-Louis (Hrsg.) 1995, S. 44 - 51
    Online Volltext: dx.doi.org/

    • Bücher/Sammelwerke/Tagungsbände

  • Ángyán, János; Dobson, John; Jansen, Georg; Gould, Tim
    London Dispersion Forces in Molecules, Solids and Nano-structures : An Introduction to Physical Models and Computational Methods
    In: Theoretical and Computational Chemistry Series London Jg. 16 (2020) 434 Seiten
    Online Volltext: dx.doi.org/

    • Poster / Posterbeiträge

  • Weiss, Rainer; Jansen, Georg; Boese, Roland; Epple, Matthias;
    Ein Cyanokomplex mit Kupfer in vier unterschiedlichen Koordinationsumgebungen
    13. Vortragstagung der Fachgruppe Festkörperchemie und Materialforschung, 20. bis 22. September 2006, Aachen, Germany,
    In: Zeitschrift für Anorganische und Allgemeine Chemie (ZAAC) Jg. 632 (2006) Nr. 12-13, S. 2142
    Online Volltext: dx.doi.org/

    • Vorträge

  • Jansen, Georg;
    Wenn sich Moleküle mögen
    Die kleine Form, 24. Mai 2006, Essen,
    In: Die kleine Form 2006 (2006)
    Online Volltext