Vlasta Bonačić‐Koutecký

Research interests

Publications

• Clusters as model systems for investigating nanoscale oxidation catalysis

  Chemical Physics Letters · 2009 · https://doi.org/10.1016/j.cplett.2009.04.003

• Influence of Charge State on the Mechanism of CO Oxidation on Gold Clusters

  Journal of the American Chemical Society · 2008 · https://doi.org/10.1021/ja0768542

• Nonadiabatic dynamics within the time dependent density functional theory: Ultrafast photodynamics in pyrazine

  Chemical Physics · 2008 · https://doi.org/10.1016/j.chemphys.2008.02.061

• Reactivity of Atomic Gold Anions toward Oxygen and the Oxidation of CO: Experiment and Theory

  Journal of the American Chemical Society · 2004 · https://doi.org/10.1021/ja030544b

• Theoretical and Experimental Consideration of the Reactions between VxOy+ and Ethylene

  Journal of the American Chemical Society · 2003 · https://doi.org/10.1021/ja021349k

• Density functional study of structural and electronic properties of bimetallic silver–gold clusters: Comparison with pure gold and silver clusters

  The Journal of Chemical Physics · 2002 · https://doi.org/10.1063/1.1492800

• Ab initio study of the absorption spectra of Agn (n=5–8) clusters

  The Journal of Chemical Physics · 2001 · https://doi.org/10.1063/1.1415077

• An accurate relativistic effective core potential for excited states of Ag atom: An application for studying the absorption spectra of Agn and Agn+ clusters

  The Journal of Chemical Physics · 1999 · https://doi.org/10.1063/1.478242

• Effective core potential-configuration interaction study of electronic structure and geometry of small neutral and cationic Agn clusters: Predictions and interpretation of measured properties

  The Journal of Chemical Physics · 1993 · https://doi.org/10.1063/1.464552

• Evolution of the electronic structure of lithium clusters between four and eight atoms

  The Journal of Chemical Physics · 1992 · https://doi.org/10.1063/1.462846

• Quantum chemistry of small clusters of elements of groups Ia, Ib, and IIa: fundamental concepts, predictions, and interpretation of experiments

  Chemical Reviews · 1991 · https://doi.org/10.1021/cr00005a016

• Theoretical interpretation of the photoelectron detachment spectra of Na−2–5 and of the absorption spectra of Na3, Na4, and Na8 clusters

  The Journal of Chemical Physics · 1990 · https://doi.org/10.1063/1.458766

• Electronic aspects of organic photochemistry

  Medical Entomology and Zoology · 1990

• Neutral and Charged Biradicals, Zwitterions, Funnels in S1, and Proton Translocation: Their Role in Photochemistry, Photophysics, and Vision

  Angewandte Chemie International Edition in English · 1987 · https://doi.org/10.1002/anie.198701701

• Photophysics of Internal Twisting

  Advances in chemical physics · 1987 · https://doi.org/10.1002/9780470142967.ch1

• Sudden Polarization in the Zwitterionic Z1 Excited States of Organic Intermediates. Photochemical Implications

  Angewandte Chemie International Edition in English · 1975 · https://doi.org/10.1002/anie.197505751

Current projects

No projects listed.