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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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI (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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • Nuding, G.; Zimmermann, E.; Buß, Volker
    A sterically hindered optically active pentamethine dye
    In: Tetrahedron Letters , Jg. 42 2001, Nr. 14, S. 2649 – 2651
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • Eggers, Lutz; Buß, Volker
    A tolan substituted optically active spiropyran
    In: Tetrahedron: Asymmetry , Jg. 10 1999, Nr. 23, S. 4485 – 4494
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • Eggers, Lutz; Buß, Volker
    A Spiroindolinopyran with Switchable Optical Activity
    In: Angewandte Chemie International Edition , Jg. 36 1997, Nr. 8, S. 881 – 883
    DOI
  • Buß, Volker; Eggers, Lutz
    A chiral arylazomethyleneindoline dye
    In: Tetrahedron: Asymmetry , Jg. 8 1997, Nr. 10, S. 1531 – 1533
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI
  • 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
    DOI

    • 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: Verlagsges. Schulfernsehen 1979
  • Buß, Volker; Dieck, Heindirk tom; Rudolph, Joachim
    Einführung in die Chemie, 2
    Köln: Verlagsges. Schulfernsehen 1977
  • Buß, Volker; Dieck, Heindirk tom; Rudolph, Joachim
    Einführung in die Chemie : Band 1
    Köln: Verlagsges. Schulfernsehen 1975
  • Buß, Volker; Dieck, Heindirk tom; Rudolph, Joachim
    Einführung in die Chemie, 1
    Köln: Verlagsges. Schulfernsehen 1970

    • 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
    DOI