Search results
- 1.0359349 - ÚOCHB 2012 RIV CZ eng J - Journal Article
Černušák, I. - Federič, J. - Jungwirth, Pavel - Uhlár, M.
Effects of micro-hydration in proton transfer from H2S.NO+ complex to water: ab initio and molecular dynamics study.
Collection of Czechoslovak Chemical Communications. Roč. 76, č. 5 (2011), s. 585-603. ISSN 0010-0765
R&D Projects: GA MŠMT LC512
Grant - others:NSF(US) CHE0431312
Institutional research plan: CEZ:AV0Z40550506
Keywords : proton transfer * water clusters * ab initio molecular dynamics.
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.283, year: 2011
Permanent Link: http://hdl.handle.net/11104/0197149 - 2.0315801 - ÚOCHB 2009 RIV US eng J - Journal Article
Dědíková, P. - Pitoňák, Michal - Neogrady, P. - Černušák, I. - Urban, M.
Toward more efficient CCSD(T) calculations of intermolecular interactions in model Hydrogen-bonded and stacked dimers.
[Efektivnější CCSD(T) výpočty interakčních energií modelových komplexů s vodíkovými vazbami a patrovými interakcemi.]
Journal of Physical Chemistry A. Roč. 112, č. 30 (2008), s. 7115-7123. ISSN 1089-5639. E-ISSN 1520-5215
Grant - others:SRDA(SK) APVV-20-018405; VEGA(SK) 1/3560/06
Institutional research plan: CEZ:AV0Z40550506
Keywords : CCSD(T) * hydrogen bonding * stacking
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.871, year: 2008
Permanent Link: http://hdl.handle.net/11104/0004893