Search results
- 1.0384267 - ÚOCHB 2013 RIV US eng J - Journal Article
Zelený, T. - Ruckenbauer, M. - Aquino, A. J. A. - Müller, T. - Lankaš, Filip - Dršata, Tomáš - Hase, W. L. - Nachtigallová, Dana - Lischka, H.
Strikingly Different Effects of Hydrogen Bonding on the Photodynamics of Individual Nucleobases in DNA: Comparison of Guanine and Cytosine.
Journal of the American Chemical Society. Roč. 134, č. 33 (2012), s. 13662-13669. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR GAP208/12/1318; GA MŠMT(CZ) LH11021
Grant - others:GA ČR(CZ) GD203/09/H046
Program: GD
Institutional support: RVO:61388963
Keywords : excited-state dynamics * ultrafast internal-conversion * photoinduced nonadiabatic dynamics * nonradiative decay mechanisms * MR-CI level * ab initio
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 10.677, year: 2012
Permanent Link: http://hdl.handle.net/11104/0213971 - 2.0364629 - ÚOCHB 2012 RIV CZ eng J - Journal Article
Zelený, T. - Hobza, Pavel - Nachtigallová, Dana - Ruckenbauer, M. - Lischka, H.
Photodynamics of the adenine model 4-aminopyrimidine embedded within double strand of DNA.
Collection of Czechoslovak Chemical Communications. Roč. 76, č. 6 (2011), s. 631-643. ISSN 0010-0765
R&D Projects: GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : ab initio calculations * excited states * nucleic acids * photodynamics * QM/MM method
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.283, year: 2011
Permanent Link: http://hdl.handle.net/11104/0200063 - 3.0353649 - ÚOCHB 2011 RIV US eng J - Journal Article
Ruckenbauer, M. - Barbatti, M. - Müller, T. - Lischka, Hans
Nonadiabatic Excited-State Dynamics with Hybrid ab Initio Quantum-Mechanical/Molecular-Mechanical Methods: Solvation of the Pentadieniminium Cation in Apolar Media.
Journal of Physical Chemistry A. Roč. 114, č. 25 (2010), s. 6757-6765. ISSN 1089-5639. E-ISSN 1520-5215
Institutional research plan: CEZ:AV0Z40550506
Keywords : Nonadiabatic excited-state dynamics * hybrid methods * multireference methods * penta-2,4-dien-1-iminium cation (PSB3) * 4-methyl-penta-2,4-dien-1- iminium cation (MePSB3)
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.732, year: 2010
Permanent Link: http://hdl.handle.net/11104/0006231 - 4.0346458 - ÚOCHB 2011 RIV US eng J - Journal Article
Nachtigallová, Dana - Zelený, T. - Ruckenbauer, M. - Müller, T. - Barbatti, M. - Hobza, Pavel - Lischka, Hans
Does Stacking Restrain the Photodynamics of Individual Nucleobases?
Journal of the American Chemical Society. Roč. 132, č. 24 (2010), s. 8261-8263. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA MŠMT LC512
Grant - others:GA ČR(CZ) GD203/09/H046
Program: GD
Institutional research plan: CEZ:AV0Z40550506
Keywords : excited states dynamics * nucleobases * QM/MM method
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 9.019, year: 2010
Permanent Link: http://hdl.handle.net/11104/0187482