Search results
- 1.0372349 - ÚFCH JH 2012 RIV US eng J - Journal Article
Pederzoli, Marek - Pittner, Jiří - Barbatti, M. - Lischka, H.
Nonadiabatic Molecular Dynamics Study of the cis-trans Photoisomerization of Azobenzene Excited to the S(1) State.
Journal of Physical Chemistry A. Roč. 115, č. 41 (2011), s. 11136-11143. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA AV ČR IAA400400810
Institutional research plan: CEZ:AV0Z40400503
Keywords : quantum-classical dynamics * coupling terms * analytic evaluation
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.946, year: 2011
Permanent Link: http://hdl.handle.net/11104/0006847 - 2.0366585 - ÚFCH JH 2012 RIV US eng J - Journal Article
Cwiklik, Lukasz - Aquino, A. J. A. - Vazdar, Mario - Jurkiewicz, Piotr - Pittner, Jiří - Hof, Martin - Lischka, H.
Absorption and Fluorescence of PRODAN in Phospholipid Bilayers: A Combined Quantum Mechanics and Classical Molecular Dynamics Study.
Journal of Physical Chemistry A. Roč. 115, č. 41 (2011), s. 11428-11437. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA AV ČR IAA400400810
Institutional research plan: CEZ:AV0Z40400503; CEZ:AV0Z40550506
Keywords : fluorescence * density functional theory * charge transfer
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.946, year: 2011
Permanent Link: http://hdl.handle.net/11104/0006636 - 3.0347014 - ÚFCH JH 2011 RIV NL eng J - Journal Article
Barbatti, M. - Pittner, Jiří - Pederzoli, Marek - Werner, U. - Mitrić, R. - Bonačić-Koutecký, V. - Lischka, H.
Non-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy.
Chemical Physics. Roč. 375, č. 1 (2010), s. 26-34. ISSN 0301-0104. E-ISSN 1873-4421
R&D Projects: GA AV ČR IAA400400810
Institutional research plan: CEZ:AV0Z40400503
Keywords : non-adiabatic dynamics * ultrafast phenomena * pyrrole
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.017, year: 2010
Permanent Link: http://hdl.handle.net/11104/0187890 - 4.0335823 - ÚFCH JH 2010 RIV NL eng J - Journal Article
Pittner, Jiří - Lischka, H. - Barbatti, M.
Optimization of mixed quantum-classical dynamics: Time-derivative coupling terms and selected couplings.
[Optimalizace smíšené kvantově-klasické dynamiky: Vazebné členy z časových derivací a výběr vazebných členů.]
Chemical Physics. Roč. 356, 1-3 (2009), s. 147-152. ISSN 0301-0104. E-ISSN 1873-4421
R&D Projects: GA AV ČR IAA400400810
Institutional research plan: CEZ:AV0Z40400503
Keywords : mixed-quantum classical dynamics * non-adiabatic coupling * molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.277, year: 2009
Permanent Link: http://hdl.handle.net/11104/0180184