Search results
- 1.0364667 - ÚOCHB 2012 RIV US eng J - Journal Article
Barbatti, M. - Szymczak, J. J. - Aquino, A. J. A. - Nachtigallová, Dana - Lischka, H.
The decay mechanism of photoexcited guanine - A nonadiabatic dynamics study.
Journal of Chemical Physics. Roč. 134, č. 1 (2011), 14304/1-14304/5. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : ab initio calculations * excited states * nucleic acids * photodynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.333, year: 2011
Permanent Link: http://hdl.handle.net/11104/0200091 - 2.0364575 - ÚOCHB 2012 RIV GB eng J - Journal Article
Barbatti, M. - Aquino, A. J. A. - Szymczak, J. J. - Nachtigallová, Dana - Lischka, H.
Photodynamical simulations of cytosine: characterization of the ultrafast bi-exponential UV deactivation.
Physical Chemistry Chemical Physics. Roč. 13, č. 13 (2011), s. 6145-6155. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : initio calculations * excited states * nucleic acids * photodynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.573, year: 2011
Permanent Link: http://hdl.handle.net/11104/0200025 - 3.0364303 - ÚOCHB 2012 RIV US eng J - Journal Article
Nachtigallová, Dana - Aquino, A. J. A. - Szymczak, J. J. - Barbatti, M. - Hobza, Pavel - Lischka, H.
Nonadiabatic Dynamics of Uracil: Population Split among Different Decay Mechanisms.
Journal of Physical Chemistry A. Roč. 115, č. 21 (2011), s. 5247-5255. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : ab initio calculations * excited states * nucleic acids * photodynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.946, year: 2011
Permanent Link: http://hdl.handle.net/11104/0006547 - 4.0353300 - ÚOCHB 2011 RIV US eng J - Journal Article
Barbatti, M. - Aquino, A. J. A. - Szymczak, J. J. - Nachtigallová, Dana - Hobza, Pavel - Lischka, Hans
Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases.
Proceedings of the National Academy of Sciences of the United States of America. Roč. 107, č. 50 (2010), s. 21453-21458. ISSN 0027-8424. E-ISSN 1091-6490
R&D Projects: GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : nonadiabatic photodynamical simulation * ultrafast photodeactivation * ab-initio multireference methods
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 9.771, year: 2010
Permanent Link: http://hdl.handle.net/11104/0192584 - 5.0351537 - ÚOCHB 2011 RIV NL eng J - Journal Article
Nachtigallová, Dana - Barbatti, M. - Szymczak, J. J. - Hobza, Pavel - Lischka, Hans
The photodynamics of 2,4-diaminopyrimidine in comparison with 4-aminopyrimidine: The effect of amino-substitution.
Chemical Physics Letters. Roč. 497, 1/3 (2010), s. 129-134. ISSN 0009-2614. E-ISSN 1873-4448
R&D Projects: GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : nonadiabatic dynamical simulation * pyrimidine bases * ab initio methods
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.282, year: 2010
Permanent Link: http://hdl.handle.net/11104/0006168 - 6.0351531 - ÚOCHB 2011 RIV GB eng J - Journal Article
Nachtigallová, Dana - Lischka, Hans - Szymczak, J. J. - Barbatti, M. - Hobza, Pavel - Gengeliczki, Z. - Pino, G. - Callahan, M. P. - Vries de, M. S.
The effect of C5 substitution on the photochemistry of uracil.
Physical Chemistry Chemical Physics. Roč. 12, č. 19 (2010), s. 4924-4933. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : excited-state lifetime * IR/UV double-resonant spectroscopy * multi-reference ab initio methods * uracil analogues
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.454, year: 2010
Permanent Link: http://hdl.handle.net/11104/0191265 - 7.0334356 - ÚOCHB 2010 RIV US eng J - Journal Article
Szymczak, J. J. - Barbatti, M. - Soo Hoo, J. T. - Adkins, J. A. - Windus, T. L. - Nachtigallová, Dana - Lischka, Hans
Photodynamics simulations of thymine: relaxation into the first excited singlet state.
Journal of Physical Chemistry A. Roč. 113, č. 45 (2009), s. 12686-12693. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT LC512
Grant - others:ANSF(US) OISE-0730114
Institutional research plan: CEZ:AV0Z40550506
Keywords : nucleic acid bases * nonadiabatic dynamics simulations * relaxation mechanism
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.899, year: 2009
Permanent Link: http://hdl.handle.net/11104/0005588 - 8.0333449 - ÚOCHB 2010 RIV US eng J - Journal Article
Szymczak, J. J. - Barbatti, M. - Lischka, Hans
Is the Photoinduced Isomerization in Retinal Protonated Schiff Bases a Single- or Double-Torsional Process?
Journal of Physical Chemistry A. Roč. 113, č. 43 (2009), s. 11907-11918. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : nonadiabatic photodynamical simulations * retinal protonated Schiff base * cis-trans isomerization processes
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.899, year: 2009
Permanent Link: http://hdl.handle.net/11104/0005570