Search results
- 1.0524012 - ÚOCHB 2021 RIV US eng J - Journal Article
Lischka, H. - Shepard, R. - Müller, T. - Szalay, P. G. - Pitzer, R. M. - Aquino, A. J. A. - do Nascimento, M. M. A. - Barbatti, M. - Belcher, L. T. - Blaudeau, J. P. - Borges, I. - Brozell, S. R. - Carter, E. A. - Das, A. - Gidofalvi, G. - González, L. - Hase, W. L. - Kedziora, G. - Kertesz, M. - Kossoski, F. - Machado, F. B. C. - Matsika, S. - do Monte, S. A. - Nachtigallová, Dana - Nieman, R. - Oppel, M. - Parish, C. A. - Plasser, F. - Spada, R. F. K. - Stahlberg, E. A. - Ventura, E. - Yarkony, D. R. - Zhang, Z.
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry.
Journal of Chemical Physics. Roč. 152, č. 13 (2020), č. článku 134110. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA18-09914S
Institutional support: RVO:61388963
Keywords : Gaussian basis sets * correlated molecular calculations * size-extensive modification
OECD category: Physical chemistry
Impact factor: 3.488, year: 2020
Method of publishing: Limited access
https://aip.scitation.org/doi/10.1063/1.5144267
Permanent Link: http://hdl.handle.net/11104/0308333 - 2.0384267 - 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 - 3.0336603 - ÚOCHB 2010 RIV US eng J - Journal Article
West, A. C. - Kretchmer, J. S. - Sellner, B. - Park, K. - Hase, W. L. - Lischka, Hans - Windus, T. L.
O(3P) + C2H4 Potential Energy Surface: Study at the Multireference Level.
Journal of Physical Chemistry A. Roč. 113, č. 45 (2009), s. 12663-12674. ISSN 1089-5639. E-ISSN 1520-5215
Institutional research plan: CEZ:AV0Z40550506
Keywords : hydrogen combustion * multireference methods * O(3P)+C2H4 reaction
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.899, year: 2009
Permanent Link: http://hdl.handle.net/11104/0005675