Electronic aspects of organic photochemistry J Michl, V Bonačić-Koutecký
(No Title), 1990
899 1990 Encyclopedia of computational chemistry P von Ragué Schleyer, NL Allinger, T Clark, J Gasteiger, P Kollman, ...
J. Wiley & Sons, 1998
824 * 1998 Quantum chemistry of small clusters of elements of groups Ia, Ib, and IIa: fundamental concepts, predictions, and interpretation of experiments V Bonacic-Koutecky, P Fantucci, J Koutecky
Chemical Reviews 91 (5), 1035-1108, 1991
704 1991 Photophysics of internal twisting E Lippert, W Rettig, V Bonačić‐Koutecký, F Heisel, JA Miehe
Advances in chemical physics, 1-174, 1987
528 1987 Neutral and Charged Biradicals, Zwitterions, Funnels in S1 , and Proton Translocation: Their Role in Photochemistry, Photophysics, and Vision V Bonačić‐Koutecký, J Koutecký, J Michl
Angewandte Chemie International Edition in English 26 (3), 170-189, 1987
472 1987 Density functional study of structural and electronic properties of bimetallic silver–gold clusters: comparison with pure gold and silver clusters V Bonačić-Koutecký, J Burda, R Mitrić, M Ge, G Zampella, P Fantucci
The Journal of chemical physics 117 (7), 3120-3131, 2002
373 2002 Effective core potential-configuration interaction study of electronic structure and geometry of small neutral and cationic Agn clusters: Predictions and interpretation of … V Bonacic-Koutecky, L Cespiva, P Fantucci, J Koutecky
The Journal of chemical physics 98 (10), 7981-7994, 1993
273 1993 Sudden Polarization in the Zwitterionic Z1 Excited States of Organic Intermediates. Photochemical Implications V Bonačić‐Koutecký, P Bruckmann, P Hiberty, J Koutecký, C Leforestier, ...
Angewandte Chemie International Edition in English 14 (8), 575-576, 1975
226 1975 An accurate relativistic effective core potential for excited states of Ag atom: An application for studying the absorption spectra of V Bonačić-Koutecký, J Pittner, M Boiron, P Fantucci
The Journal of chemical physics 110 (8), 3876-3886, 1999
215 1999 Evolution of the electronic structure of lithium clusters between four and eight atoms J Blanc, V Bonačić‐Koutecký, M Broyer, J Chevaleyre, P Dugourd, ...
The Journal of chemical physics 96 (3), 1793-1809, 1992
190 1992 Nonadiabatic dynamics within the time dependent density functional theory: Ultrafast photodynamics in pyrazine U Werner, R Mitrić, T Suzuki, V Bonačić-Koutecký
Chemical Physics 349 (1-3), 319-324, 2008
176 2008 Clusters as model systems for investigating nanoscale oxidation catalysis GE Johnson, R Mitrić, V Bonačić-Koutecký, AW Castleman Jr
Chemical Physics Letters 475 (1-3), 1-9, 2009
171 2009 Effective core potential‐configuration interaction study of electronic structure and geometry of small anionic Agn V Bonačić‐Koutecký, L Češpiva, P Fantucci, J Pittner, J Koutecký
The Journal of chemical physics 100 (1), 490-506, 1994
167 1994 Theoretical interpretation of the photoelectron detachment spectra of Na− 2–5 and of the absorption spectra of Na3 , Na4 , and Na8 clusters V Bonačić‐Koutecký, P Fantucci, J Koutecký
The Journal of chemical physics 93 (6), 3802-3825, 1990
157 1990 Effective core potential‐configuration interaction study of electronic structure and geometry of small neutral and cationic Agn V Bonačić‐Koutecký, L Češpiva, P Fantucci, J Koutecký
The Journal of Chemical Physics 98 (10), 7981-7994, 1993
156 1993 Non-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy M Barbatti, J Pittner, M Pederzoli, U Werner, R Mitrić, V Bonačić-Koutecký, ...
Chemical Physics 375 (1), 26-34, 2010
154 2010 Influence of charge state on catalytic oxidation reactions at metal oxide clusters containing radical oxygen centers GE Johnson, R Mitric, M Nössler, EC Tyo, V Bonacic-Koutecky, ...
Journal of the American Chemical Society 131 (15), 5460-5470, 2009
135 2009 Laser-field-induced surface-hopping method for the simulation and control of ultrafast photodynamics R Mitrić, J Petersen, V Bonačić-Koutecký
Physical Review A—Atomic, Molecular, and Optical Physics 79 (5), 053416, 2009
133 2009 Nonadiabatic dynamics and simulation of time resolved photoelectron spectra within time-dependent density functional theory: Ultrafast photoswitching in benzylideneaniline R Mitrić, U Werner, V Bonačić-Koutecký
The Journal of chemical physics 129 (16), 2008
132 2008 Stoichiometric zirconium oxide cations as potential building blocks for cluster assembled catalysts GE Johnson, R Mitric, EC Tyo, V Bonacic-Koutecky, AW Castleman Jr
Journal of the American Chemical Society 130 (42), 13912-13920, 2008
128 2008 