Search results
- 1.0342839 - ÚOCHB 2011 RIV US eng J - Journal Article
Paulson, L. O. - Kaminský, Jakub - Anderson, D. T. - Bouř, Petr - Kubelka, J.
Theoretical Study of Vibrationally Averaged Dipole Moments for the Ground and Excited C=O Stretching States of trans-Formic Acid.
Journal of Chemical Theory and Computation. Roč. 6, č. 3 (2010), s. 817-827. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR GA202/07/0732; GA AV ČR IAA400550702
Grant - others:CAREER(US) 0846140; AV ČR(CZ) M200550902
Institutional research plan: CEZ:AV0Z40550506
Keywords : dipole moments * theoretical modelling * vibrational averaging
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.138, year: 2010
Permanent Link: http://hdl.handle.net/11104/0185461 - 2.0326802 - ÚOCHB 2010 RIV US eng J - Journal Article
Dračínský, Martin - Kaminský, Jakub - Bouř, Petr
Relative importance of first and second derivatives of nuclear magnetic resonance chemical shifts and spin-spin coupling constants for vibrational averaging.
Journal of Chemical Physics. Roč. 130, č. 9 (2009), 094106/1-094106/13. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA400550702
Institutional research plan: CEZ:AV0Z40550506
Keywords : NMR * anharmonic forces * vibrational averaging
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.093, year: 2009
Permanent Link: http://hdl.handle.net/11104/0173796