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Prof. em Dr. rer. nat. Volker Buß

Funktionen

  • Universitätsprofessor/in em./i.R., Theoretische Chemie

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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

  • Khouri, Sa'Ib J.; Buß, Volker; Khouri, Sa’ib J.
    UV/Vis Spectral Study of the Self-aggregation of Pinacyanol Chloride in Ethanol–Water Solutions
    In: Journal of Solution Chemistry Jg. 39 (2010) Nr. 1, S. 121 - 130
    Online Volltext: dx.doi.org/
  • Furth, Guido; Knierim, Robert; Buß, Volker; Mayer, Christian
    Binding of bivalent cations by hyaluronate in aqueous solution
    In: International Journal of Biological Macromolecules Jg. 42 (2008) Nr. 1, S. 33 - 40
  • Duvenbeck, A.; Weingart, Oliver; Buß, Volker; Wucher, A.
    Electron promotion and electronic friction in atomic collision cascades
    In: New Journal of Physics (NJP) Jg. 9 (2007) 38
    Online Volltext: dx.doi.org/
  • Duvenbeck, Andreas; Weingart, Oliver; Buß, Volker; Wucher, Andreas
    On the role of electronic friction and electron promotion in kinetic excitation of solids
    In: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms Jg. 255 (2007) Nr. 1, S. 281 - 285
    Online Volltext: dx.doi.org/
  • Duvenbeck, Andreas; Weingart, Oliver; Buß, Volker; Wucher, A.
    The role of electronic friction of low-energy recoils in atomic collision cascades
    In: Nuclear Instruments & Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms Jg. 258 (2007) Nr. 1, S. 83 - 86
    Online Volltext: dx.doi.org/
  • Weingart, Oliver; Schapiro, Igor; Buß, Volker
    Bond torsion affects the product distribution in the photoreaction of retinal model chromophores
    In: Journal of Molecular Modeling Jg. 12 (2006) Nr. 5, S. 713 - 721
    Online Volltext: dx.doi.org/
  • Sekharan, Sivakumar; Weingart, Oliver; Buß, Volker
    Ground and excited states of retinal Schiff base chromophores by multiconfigurational perturbation theory
    In: Biophysical Journal Jg. 91 (2006) Nr. 1, S. L07 - L09
    Online Volltext: dx.doi.org/ (Open Access)
  • Sekharan, Sivakumar; Sugihara, Minoru; Buß, Volker
    Origin of Spectral Tuning in Rhodopsin : It Is Not the Binding Pocket
    In: Angewandte Chemie International Edition Jg. 46 (2006) Nr. 1-2, S. 269 - 271
    Online Volltext: dx.doi.org/
  • Weingart, O.; Buß, Volker; Robb, M.A.
    Excited state molecular dynamics of retinal model chromophores
    In: Phase Transitions Jg. 78 (2005) Nr. 1-3, S. 17 - 24
    Online Volltext: dx.doi.org/
  • Sugihara, Minoru; Buß, Volker; Entel, Peter; Hafner, J.; Bondar, A.n.; Elstner, M.; Frauenheim, T.
    Ab initio, tight-binding and QM/MM calculations of the rhodopsin chromophore in its binding pocket
    In: Phase Transitions Jg. 77 (2004) Nr. 1-2, S. 31 - 45
    Online Volltext: dx.doi.org/
  • Adeagbo, Waheed A.; Buß, Volker; Entel, Peter
    Calculation of a β-cyclodextrin-binaphthyl inclusion complex using density functional theory
    In: Phase Transitions Jg. 77 (2004) Nr. 1-2, S. 53 - 61
    Online Volltext: dx.doi.org/
  • Weingart, Oliver; Migani, Annapaola; Olivucci, Massimo; Robb, Michael A.; Buß, Volker; Hunt, Patricia
    Probing the Photochemical Funnel of a Retinal Chromophore Model via Zero-Point Energy Sampling Semiclassical Dynamics
    In: Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols Jg. 108 (2004) Nr. 21, S. 4685 - 4693
    Online Volltext: dx.doi.org/
  • Adeagbo, Waheed A.; Buß, Volker; Entel, Peter
    Inclusion Complexes of Dyes and Cyclodextrins : Modeling Supermolecules by Rigorous Quantum Mechanics
    In: Journal of Inclusion Phenomena and Macrocyclic Chemistry Jg. 44 (2003) Nr. 1-4, S. 203 - 205
    Online Volltext: dx.doi.org/
  • Schreiber, Marko; Buß, Volker
    Origin of the bathochromic shift in the early photointermediates of the rhodopsin visual cycle: a CASSCF/CASPT2 study
    In: International Journal of Quantum Chemistry Jg. 95 (2003) Nr. 6, S. 882 - 889
    Online Volltext: dx.doi.org/
  • Buß, Volker; Sugihara, Minoru; Entel, Peter; Hafner, Jürgen
    Thr 94 and Wat2b Effect Protonation of the Retinal Chromophore in Rhodopsin
    In: Angewandte Chemie International Edition Jg. 42 (2003) Nr. 28, S. 3245 - 3247
    Online Volltext: dx.doi.org/
  • Schreiber, M.; Weingart, O.; Buß, Volker
    Aromaticity-more than only a p-sextet
    In: Praxis der Naturwissenschaften – Chemie in der Schule Jg. 51 (2002) Nr. 3, S. 30 - 34
  • Schreiber, Marko; Buß, Volker
    CASPT2 calculation of the excited states of symmetric polyenyl cations
    In: Physical Chemistry, Chemical Physics (PCCP) Jg. 4 (2002) Nr. 14, S. 3305 - 3310
    Online Volltext: dx.doi.org/
  • Weingart, O.; Buß, Volker
    Excited State Isomerization of Small Polyeneiminium Ions : The Influence of Initial Torsion and Methyl Substitution on Md-Calculated Reaction Dynamics
    In: Phase Transitions Jg. 75 (2002) Nr. 1-2, S. 19 - 29
    Online Volltext: dx.doi.org/
  • Nuding, G.; Zimmermann, E.; Buß, Volker
    A sterically hindered optically active pentamethine dye
    In: Tetrahedron Letters Jg. 42 (2001) Nr. 14, S. 2649 - 2651
    Online Volltext: dx.doi.org/
  • Schreiber, Marko; Vahrenhorst, Rainer; Buß, Volker; Fülscher, Markus P.
    Ab initio (CASPT2) excited state calculations, including circular dichroism, of helically twisted cyanine dyes
    In: Chirality Jg. 13 (2001) Nr. 9, S. 571 - 576
    Online Volltext: dx.doi.org/
  • Kampermann, Hermann; Kolster, Klaus; Buß, Volker
    Conformation and absolute configuration of 11,12-cyclopropyl retinal analogs - an RHF/DFT/CIS study
    In: Journal of Molecular Modeling Jg. 7 (2001) Nr. 5, S. 132 - 139
    Online Volltext: dx.doi.org/
  • Buß, Volker
    Inherent chirality of the retinal chromophore in rhodopsin : a nonempirical theoretical analysis of chiroptical data
    In: Chirality Jg. 13 (2001) Nr. 1, S. 13 - 23
    Online Volltext: dx.doi.org/
  • Buß, Volker; Schreiber, Marko; Fulscher, Markus P.
    Nonempirical Calculation of Polymethine Excited States
    In: Angewandte Chemie International Edition Jg. 40 (2001) Nr. 17, S. 3189 - 3190
    Online Volltext: dx.doi.org/
  • Schreiber, Marko; Buß, Volker; Fuelscher, Markus P.
    The electronic spectra of symmetric cyanine dyes : A CASPT2 study
    In: Physical Chemistry, Chemical Physics (PCCP) Jg. 3 (2001) Nr. 18, S. 3906 - 3912
    Online Volltext: dx.doi.org/
  • Sugihara, Minoru; Entel, Peter; Meyer, Hendrik; Buß, Volker; Terstegen, Frank; Hafner, Jurgen
    A Molecular-Dynamics Study of the Rhodopsin Chromophore Using Ultrasoft Pseudopotentials
    In: Progress of Theoretical Physics / Supplement Jg. 138 (2000) S. 107 - 112
    Online Volltext: dx.doi.org/
  • Buß, Volker; Weingart, Oliver; Sugihara, Minoru
    Fast Photoisomerization of a Rhodopsin Model : An Ab Initio Molecular Dynamics Study
    In: Angewandte Chemie International Edition Jg. 39 (2000) Nr. 15, S. 2784 - 2786
    Online Volltext: dx.doi.org/
  • Eggers, Lutz; Buß, Volker
    A tolan substituted optically active spiropyran
    In: Tetrahedron: Asymmetry Jg. 10 (1999) Nr. 23, S. 4485 - 4494
    Online Volltext: dx.doi.org/
  • Buß, Volker; Falzewski, Stephan; Kolster, Klaus
    Hyperconjugation Discriminates between Helically Twisted Cyanine Dyes
    In: The Journal of Organic Chemistry Jg. 64 (1999) Nr. 3, S. 1071 - 1073
    Online Volltext: dx.doi.org/
  • Terstegen, Frank; Carter, Emily A.; Buß, Volker
    Interconversion pathways of the protonated β-ionone Schiff base : An ab initio molecular dynamics study
    In: International Journal of Quantum Chemistry Jg. 75 (1999) Nr. 3, S. 141 - 145
    Online Volltext: dx.doi.org/
  • Falzewski, Stephan; Terstegen, Frank; Buß, Volker
    Structure and dynamics of helically twisted cyanine dyes
    In: Chemical Physics Jg. 243 (1999) Nr. 1-2, S. 179 - 188
    Online Volltext: dx.doi.org/
  • Buß, Volker; Kolster, Klaus; Terstegen, Frank; Vahrenhorst, Rainer
    Absolute Sense of Twist of the C12–C13 Bond of the Retinal Chromophore in Rhodopsin : Semiempirical and Nonempirical Calculations of Chiroptical Data
    In: Angewandte Chemie International Edition Jg. 37 (1998) Nr. 13-14, S. 1893 - 1895
    Online Volltext: dx.doi.org/
  • Terstegen, Frank; Buß, Volker
    Influence of DFT-calculated electron correlation on energies and geometries of retinals and of retinal derivatives related to the bacteriorhodopsin and rhodopsin chromophores
    In: Journal of Molecular Structure: THEOCHEM Jg. 430 (1998) S. 209 - 218
    Online Volltext: dx.doi.org/
  • Eggers, Lutz; Buß, Volker
    A Spiroindolinopyran with Switchable Optical Activity
    In: Angewandte Chemie International Edition Jg. 36 (1997) Nr. 8, S. 881 - 883
    Online Volltext: dx.doi.org/
  • Buß, Volker; Eggers, Lutz
    A chiral arylazomethyleneindoline dye
    In: Tetrahedron: Asymmetry Jg. 8 (1997) Nr. 10, S. 1531 - 1533
    Online Volltext: dx.doi.org/
  • Wenzel, Stephan; Buß, Volker
    A split beam method for measuring time-resolved circular dichroism
    In: Review of Scientific Instruments Jg. 68 (1997) Nr. 4, S. 1886 - 1888
    Online Volltext: dx.doi.org/
  • Roos, Christopher; Buß, Volker
    Evidence for the cyclodextrin mediated aggregation of cyanine dyes into oligomers
    In: Journal of Inclusion Phenomena and Molecular Recognition in Chemistry Jg. 27 (1997) Nr. 1, S. 49 - 56
    Online Volltext: dx.doi.org/
  • Terstegen, Frank; Buß, Volker
    Geometries and interconversion pathways of free and protonated b-ionone Schiff bases : An ab initio study of photoreceptor chromophore model compounds
    In: Chemical Physics Jg. 225 (1997) Nr. 1-3, S. 163 - 171
    Online Volltext: dx.doi.org/
  • Eggers, Lutz; Kolster, Klaus; Buß, Volker
    Helically twisted chiral cyanine dyes : Influence of chromophore length on observed and calculated rotatory strengths
    In: Chirality Jg. 9 (1997) Nr. 3, S. 243 - 249
    Online Volltext: dx.doi.org/
  • Terstegen, Frank; Buß, Volker
    All-trans- and 11-cis-retinal, their N-methyl Schiff base and N-methyl protonated Schiff base derivatives : a comparative ab initio study
    In: Journal of Molecular Structure: THEOCHEM Jg. 369 (1996) Nr. 1-3, S. 53 - 65
    Online Volltext: dx.doi.org/
  • Buß, Volker; Ulbrich, Dagmar; Reichardt, Christian
    Chiral Tri- and Pentamethinium Cyanine Dyes with 1,2,3,4-Tetrahydro-6-methylquinolyl End Groups : UV/Vis and CD Spectroscopy and Structure Correlations
    In: Liebigs Annalen/Recueil (1996) Nr. 11, S. 1823 - 1831
    Online Volltext: dx.doi.org/
  • Buß, Volker; Kolster, Klaus
    Electronic structure calculations on helicenes : Concerning the chirality of helically twisted aromatic systems
    In: Chemical Physics Jg. 203 (1996) Nr. 3, S. 309 - 316
  • Eggers, Lutz; Buß, Volker
    Synthesis of the First Chiral Bisindolyl Monomethinium Cyanine Dyes
    In: Liebigs Annalen/Recueil (1996) Nr. 6, S. 979 - 983
    Online Volltext: dx.doi.org/
  • Buß, Volker
    Chirality, optical activity, and chirooptical measurement methods
    In: Pharmazeutische Zeitung Jg. 140 (1995) Nr. 4, 9-12, 14, 16-18, 21-2
  • Steinmüller, Siegfried; Buß, Volker; Gaertner, Wolfgang
    Circular dichroism spectroscopy of the retinal chromophore during the photocycle of bacteriorhodopsin and its D96N mutant derivative
    In: Journal of Photochemistry and Photobiology B: Biology Jg. 31 (1995) Nr. 3, S. 139 - 144
    Online Volltext: dx.doi.org/
  • Lucas, Klaus; Delfs, U.; Buß, Volker; Speis, Martin
    Ideal-gas properties of new refrigerants from quantum mechanical ab initio calculations
    In: International Journal of Thermophysics Jg. 14 (1993) Nr. 5, S. 993 - 1006
    Online Volltext: dx.doi.org/
  • Buß, Volker; Kolster, Klaus; Görs, Britta
    Unexpected behavior of the retinylidene chromophore in the exciton interaction of chiral 1,2-cyclohexanediamine Schiff bases
    In: Tetrahedron: Asymmetry Jg. 4 (1993) Nr. 1, S. 1 - 4
    Online Volltext: dx.doi.org/
  • Speis, Martin; Buß, Volker
    Basis set and correlation energy dependence of geometry and harmonic frequencies of difluoroethane, CHF2CH3
    In: Journal of Computational Chemistry Jg. 13 (1992) Nr. 2, S. 142 - 147
    Online Volltext: dx.doi.org/
  • Messinger, Josef; Buß, Volker
    Boat-chair equilibria in free-base and protonated 2,3-dihydro-1H-1,4-benzodiazepines : A PM3-quantum-mechanical study
    In: The Journal of Organic Chemistry Jg. 57 (1992) Nr. 12, S. 3320 - 3328
    Online Volltext: dx.doi.org/
  • Faupel, Peter; Buß, Volker
    Conformational analysis and electronic structure calculations of S-1,2-bis(2-dibutenoyl)glycerol and S-1,2-bis(2,4-hexadienoyl)glycerol, two analogues of 1,2-bis(2,4-octadecadienoyl)-sn-glycero-3-phosphorylcholine
    In: Macromolecular Theory and Simulations Jg. 1 (1992) Nr. 5, S. 311 - 320
  • Faupel, Peter; Buß, Volker
    Is 1,2-bis(2,4-octadecadienoyl)-sn-glycero-3-phosphorylcholine (DODPC) an efficient chiral probe to study conformational changes in lipid membranes?
    In: Macromolecular Chemistry and Physics Jg. 193 (1992) Nr. 9, S. 2333 - 2343
    Online Volltext: dx.doi.org/
  • Buss, Volker
    Circular Dichroism of a Chiral Cyanine Dye Dimer Trapped in γ‐Cyclodextrin
    In: Angewandte Chemie International Edition Jg. 30 (1991) Nr. 7, S. 869 - 870
    Online Volltext: dx.doi.org/; Online Volltext: dx.doi.org/
  • Messinger, Josef; Buß, Volker
    Intermolecular potentials of EDA complexes by semi-empirical theory dispersion energy terms in the PM3 method
    In: Tetrahedron Jg. 46 (1990) Nr. 2, S. 423 - 432
    Online Volltext: dx.doi.org/
  • Messinger, Josef; Buß, Volker; Zeugner, Horst
    Solvent-induced ring inversion in protonated 2,3-dihydro-1H-1,4-benzodiazepines
    In: Journal of the American Chemical Society: JACS Jg. 112 (1990) Nr. 5, S. 2019 - 2021
    Online Volltext: dx.doi.org/
  • Buß, Volker; Kolster, Klaus
    Electronic structure calculations on phenanthrene and on a chiral phenanthrene derivative
    In: Zeitschrift für Physikalische Chemie Jg. 162 (1989) Nr. 1, S. 73 - 82
    Online Volltext: dx.doi.org/
  • Grueber, C.; Buß, Volker
    Quantum-mechanically calculated properties for the development of quantitative structure-activity relationships (QSAR'S). pKA-values of phenols and aromatic and aliphatic carboxylic acids
    In: Chemosphere Jg. 19 (1989) Nr. 10-11, S. 1595 - 1609
    Online Volltext: dx.doi.org/
  • Buß, Volker; Klein, Michael
    Electronic structure calculations of a chiral [2.2]metacyclophane
    In: Chemische Berichte, recueil Jg. 121 (1988) Nr. 1, S. 89 - 93
    Online Volltext: dx.doi.org/
  • Faupel, Peter; Buß, Volker
    Evidence for a Folded Conformation of Methotrexate in Solution
    In: Angewandte Chemie International Edition Jg. 27 (1988) Nr. 3, S. 423 - 424
    Online Volltext: dx.doi.org/; Online Volltext: dx.doi.org/
  • Klein, Michael; Wingen, Ute; Buß, Volker
    Chiral b-cyclocitral Schiff base : a combined spectroscopic and theoretical approach to a twisted enimine structure
    In: Journal of the American Chemical Society: JACS Jg. 109 (1987) Nr. 21, S. 6486 - 6492
    Online Volltext: dx.doi.org/
  • Buß, Volker; Simon, Lothar
    Thermodynamics of hydrogen bond formation from temperature dependent CD spectroscopy
    In: Journal of the Chemical Society, Chemical Communications (1986) Nr. 13, S. 1032 - 1034
    Online Volltext: dx.doi.org/
  • Buß, Volker; Simon, Lothar; Lemmen, Peter
    Synthesis, circular dichroism, and absolute configuration of two chiral indanylideneindans
    In: Journal of the Chemical Society, Chemical Communications (1984) Nr. 24, S. 1696 - 1698
  • Buß, Volker; Klein, Michael; Wingen, Ute
    The nature of the excited states in all-trans-retinal Schiff bases
    In: Tetrahedron Letters Jg. 25 (1984) Nr. 40, S. 4487 - 4490

    • Rezensionen

  • Buß, Volker
    Book Review: Organic Conformational Analysis and Stereochemistry from Circular Dichroism Spectroscopy. By David A. Lightner and Jeroôme E. Gurst
    In: Angewandte Chemie International Edition Jg. 40 (2001) Nr. 9, S. 1784 - 1785
    Online Volltext: dx.doi.org/

    • Beiträge in Sammelwerken und Tagungsbänden

  • Falzewski, S.; Buß, Volker
    Molecules in ground and excited states - ab initio molecular dynamics as a computational tool in chemistry
    In: International Symposium on Structure and Dynamics of Heterogeneous Systems: from atoms, molecules and clusters in complex environment to thin films and multilayers / International Symposium on Structure and Dynamics of Heterogeneous Systems ; 24 - 26 February 1999, Duisburg, Germany / Entel, Peter; Wolf, Dietrich (Hrsg.) 2000, S. 17 - 25
  • Terstegen, Frank; Kolster, K.; Falzewski, S.; Buß, Volker
    Rhodopsin - structure, spectroscopy and dynamics of a chromophore in a truly heterogeneous environment
    In: International Symposium on Structure and Dynamics of Heterogeneous Systems: from atoms, molecules and clusters in complex environment to thin films and multilayers / International Symposium on Structure and Dynamics of Heterogeneous Systems ; 24 - 26 February 1999, Duisburg, Germany / Entel, Peter; Wolf, Dietrich (Hrsg.) 2000, S. 26 - 35

    • Bücher/Sammelwerke/Tagungsbände

  • Buß, Volker; Dieck, Heindirk tom; Rudolph, Joachim
    Einführung in die Chemie, 3
    Köln (1979) 240 S.
  • Buß, Volker; Dieck, Heindirk tom; Rudolph, Joachim
    Einführung in die Chemie, 2
    Köln (1977) 231
  • Buß, Volker; Dieck, Heindirk tom; Rudolph, Joachim
    Einführung in die Chemie : Band 1
    Köln (1975)
  • Buß, Volker; Dieck, Heindirk tom; Rudolph, Joachim
    Einführung in die Chemie, 1
    Köln (1970) 192

    • Lexikoneinträge

  • Buß, Volker; Eggers, Lutz
    UV-visible absorption spectroscopy, dyes and indicators applications
    In: Encyclopedia of spectroscopy and spectrometry / Lindon, John C.; Tranter, George E.; Koppenaal, David W. (Hrsg.) 2017, S. 503 - 510
    Online Volltext: dx.doi.org/