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- 1.0500250 - ÚFCH JH 2019 RIV US eng J - Journal Article
Hollas, D. - Šištík, L. - Hohenstein, E. G. - Martínez, T. J. - Slavíček, Petr
Nonadiabatic Ab Initio Molecular Dynamics with the Floating Occupation Molecular Orbital-Complete Active Space Configuration Interaction Method.
Journal of Chemical Theory and Computation. Roč. 14, č. 1 (2018), s. 339-350. ISSN 1549-9618. E-ISSN 1549-9626
Grant - others:GA ČR(CZ) GA13-34168S
Institutional support: RVO:61388955
Keywords : quantum chemistry * ethylene * density-functional theory
OECD category: Physical chemistry
Impact factor: 5.313, year: 2018
Permanent Link: http://hdl.handle.net/11104/0292351File Download Size Commentary Version Access 0500250.pdf 2 715.5 KB Publisher’s postprint require - 2.0384307 - ÚFCH JH 2013 RIV GB eng J - Journal Article
Poterya, Viktoriya - Šištík, L. - Slavíček, Petr - Fárník, Michal
Hydrogen bond dynamics in the excited states: Photodissociation of phenol in clusters.
Physical Chemistry Chemical Physics. Roč. 14, č. 25 (2012), s. 8936-8944. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR GA203/09/0422; GA ČR GAP208/11/0161
Institutional research plan: CEZ:AV0Z40400503
Keywords : molecules * spectroscopy * electron
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.829, year: 2012
Permanent Link: http://hdl.handle.net/11104/0214004 - 3.0341710 - ÚFCH JH 2011 RIV US eng J - Journal Article
Poterya, Viktoriya - Profant, V. - Fárník, Michal - Šištík, L. - Slavíček, P. - Buck, U.
Photoinduced Processes in Hydrogen Bonded System: Photodissociation of Imidazole Clusters.
Journal of Physical Chemistry A. Roč. 113, č. 52 (2009), s. 14583-14590. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA AV ČR KAN400400651; GA AV ČR KJB400400902; GA ČR GA203/09/0422
Institutional research plan: CEZ:AV0Z40400503
Keywords : scattering analysis * molecules * imidazole clusters
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.899, year: 2009
Permanent Link: http://hdl.handle.net/11104/0005833