Search results
- 1.0332661 - ÚOCHB 2010 RIV NL eng J - Journal Article
Dědíková, P. - Demovič, L. - Pitoňák, Michal - Neogrady, P. - Urban, M.
CCSD(T) calculations of the electron affinity of the uracil molecule.
Chemical Physics Letters. Roč. 481, 1/3 (2009), s. 107-111. ISSN 0009-2614. E-ISSN 1873-4448
R&D Projects: GA MŠMT LC512
Grant - others:SRDA(SK) APVV-20-018405; SRDA(SK) LPP-0110-07; VEGA(SK) G-09-126-00
Institutional research plan: CEZ:AV0Z40550506
Keywords : optimized virtual orbitals * coupled-cluster theory * hartree-fock reference
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.291, year: 2009
Permanent Link: http://hdl.handle.net/11104/0005550 - 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