Search results
- 1.0450016 - ÚOCHB 2016 RIV GB eng J - Journal Article
Ligare, M. - Siouri, F. - Bludský, Ota - Nachtigallová, Dana - de Vries, M. S.
Characterizing the dark state in thymine and uracil by double resonant spectroscopy and quantum computation.
Physical Chemistry Chemical Physics. Roč. 17, č. 37 (2015), s. 24336-24341. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR GAP208/12/1318
Institutional support: RVO:61388963
Keywords : resolved photoelectron spectroscopy * excited singlet states * ab initio
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.449, year: 2015
Permanent Link: http://hdl.handle.net/11104/0251399 - 2.0446133 - ÚOCHB 2016 RIV US eng J - Journal Article
Ligare, M. R. - Rijs, A. M. - Berden, G. - Kabeláč, M. - Nachtigallová, Dana - Oomens, J. - de Vries, M. S.
Resonant Infrared Multiple Photon Dissociation Spectroscopy of Anionic Nucleotide Monophosphate Clusters.
Journal of Physical Chemistry B. Roč. 119, č. 25 (2015), s. 7894-7901. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GAP208/12/1318
Institutional support: RVO:61388963
Keywords : DNA polymerase beta * gas-phase conformations * excited-state dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.187, year: 2015
Permanent Link: http://hdl.handle.net/11104/0248128 - 3.0444366 - ÚOCHB 2016 RIV GB eng J - Journal Article
Zámečníková, Martina - Nachtigallová, Dana
Photodynamic behavior of electronic coupling in a N-methylformamide dimer.
Physical Chemistry Chemical Physics. Roč. 17, č. 18 (2015), s. 12356-12364. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR GAP208/12/1318; GA MŠMT(CZ) LH11021
Institutional support: RVO:61388963
Keywords : excited state dynamics * second order perturbation theory * quantum chemical calculations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.449, year: 2015
Permanent Link: http://hdl.handle.net/11104/0247010 - 4.0432612 - ÚOCHB 2015 RIV US eng J - Journal Article
Kania, R. - Malongwe, J. K. - Nachtigallová, Dana - Krousko, J. - Gladich, I. - Roeselová, Martina - Heger, D. - Klán, P.
Spectroscopic Properties of Benzene at the Air-Ice Interface: A Combined Experimental-Computational Approach.
Journal of Physical Chemistry A. Roč. 118, č. 35 (2014), s. 7535-7547. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA ČR GAP208/12/1318; GA ČR(CZ) GAP208/10/1724; GA MŠMT(CZ) LH11021
Grant - others:GA ČR(CZ) GAP503/10/0947; GA MŠk(CZ) LO1214; European Social Fund(XE) CZ.1.07/2.3.00/30.0037
Institutional support: RVO:61388963
Keywords : density functional theory * polycyclic aromatic hydrocarbons * atmospheric air/ice interfaces
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.693, year: 2014
Permanent Link: http://hdl.handle.net/11104/0237067 - 5.0396253 - ÚOCHB 2014 RIV FR eng J - Journal Article
Nachtigallová, Dana - Aquino, A. J. A. - Horn, S. - Lischka, H.
The effect of dimerization on the excited state behavior of methylated xanthine derivatives: a computational study.
Photochemical & Photobiological Sciences. Roč. 12, č. 8 (2013), s. 1496-1508. ISSN 1474-905X. E-ISSN 1474-9092
R&D Projects: GA ČR GAP208/12/1318; GA MŠMT(CZ) LH11021
Institutional support: RVO:61388963
Keywords : ultrafast internal-conversion * coupled-cluster methods * nucleic-acid bases * DNA double helices
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.939, year: 2013
Permanent Link: http://hdl.handle.net/11104/0224086 - 6.0393488 - ÚOCHB 2014 RIV GB eng J - Journal Article
Kleinermanns, K. - Nachtigallová, Dana - de Vries, M. S.
Excited state dynamics of DNA bases.
International Reviews in Physical Chemistry. Roč. 32, č. 2 (2013), s. 308-342. ISSN 0144-235X. E-ISSN 1366-591X
R&D Projects: GA ČR GAP208/12/1318
Grant - others:National Science Foundation(US) CHE-0911564; NASA(US) NNX12AG77G; Deutsche Forschungsgemeinschaft(DE) SFB 663; Deutsche Forschungsgemeinschaft(DE) KI 531-29
Institutional support: RVO:61388963
Keywords : DNA bases * nucleobases * excited state * dynamics * computations * gas phase * conical intersections
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.920, year: 2013
Permanent Link: http://hdl.handle.net/11104/0222224 - 7.0384267 - 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