Search results
- 1.0342841 - ÚOCHB 2011 RIV US eng J - Journal Article
Kapitán, J. - Dračínský, Martin - Kaminský, Jakub - Benda, Ladislav - Bouř, Petr
Theoretical Modeling of Magnesium Ion Imprints in the Raman Scattering of Water.
Journal of Physical Chemistry B. Roč. 114, č. 10 (2010), s. 3574-3582. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GA202/07/0732; GA AV ČR IAA400550702; GA AV ČR IAA400550701; GA ČR GPP208/10/P356
Grant - others:AV ČR(CZ) M200550902
Institutional research plan: CEZ:AV0Z40550506
Keywords : Raman spectroscopy * theoretical modelling * CPMD
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.603, year: 2010
Permanent Link: http://hdl.handle.net/11104/0005891 - 2.0342445 - ÚOCHB 2011 RIV US eng J - Journal Article
Dračínský, Martin - Castaňo, O. - Kotora, M. - Bouř, Petr
Rearrangement of Dewar Benzene Derivatives Studied by DFT.
Journal of Organic Chemistry. Roč. 75, č. 3 (2010), s. 576-581. ISSN 0022-3263. E-ISSN 1520-6904
R&D Projects: GA AV ČR IAA400550702; GA AV ČR KJB400550903
Grant - others:GA AV ČR(CZ) IAA401110805
Institutional research plan: CEZ:AV0Z40550506
Keywords : CPMD * dewar benzene * DFT
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.002, year: 2010
Permanent Link: http://hdl.handle.net/11104/0185179 - 3.0332605 - ÚOCHB 2010 RIV US eng J - Journal Article
Dračínský, Martin - Kaminský, Jakub - Bouř, Petr
Structure of the Alanine Hydration Shell as Probed by NMR Chemical Shifts and Indirect Spin-Spin Coupling.
Journal of Physical Chemistry B. Roč. 113, č. 44 (2009), s. 14698-14707. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GA202/07/0732; GA AV ČR IAA400550702
Institutional research plan: CEZ:AV0Z40550506
Keywords : NMR spectroscopy * CPMD * molecular dynamics * solvent effects
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.471, year: 2009
Permanent Link: http://hdl.handle.net/11104/0005547