Search results
- 1.0345917 - ÚOCHB 2011 RIV US eng J - Journal Article
Maršálek, Ondřej - Uhlig, F. - Frigato, T. - Schmidt, B. - Jungwirth, Pavel
Dynamics of Electron Localization in Warn versus Cold Water Clusters.
Physical Review Letters. Roč. 105, č. 4 (2010), 043002/1-043002/4. ISSN 0031-9007. E-ISSN 1079-7114
R&D Projects: GA MŠMT LC512; GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : solvated electron * water cluster * ab initio molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 7.621, year: 2010
Permanent Link: http://hdl.handle.net/11104/0187086 - 2.0342495 - ÚOCHB 2011 RIV US eng J - Journal Article
Maršálek, Ondřej - Frigato, T. - Vande Vondele, J. - Bradforth, S. E. - Schmidt, B. - Schütte, Ch. - Jungwirth, Pavel
Hydrogen Forms in Water by Proton Transfer to a Distorted Electron.
Journal of Physical Chemistry B. Roč. 114, č. 2 (2010), s. 915-920. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GA203/08/0114; GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : ab initio molecular dynamics * solvated electron * quenching reaction
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.603, year: 2010
Permanent Link: http://hdl.handle.net/11104/0005870 - 3.0310100 - ÚOCHB 2009 RIV US eng J - Journal Article
Frigato, T. - Vande Vondele, J. - Schmidt, B. - Schütte, Ch. - Jungwirth, Pavel
Ab initio molecular dynamics simulation of a medium-sized water cluster anion: From an interior to a surface-located excess electron via a delocalized state.
[Ab initio molekulově dynamická simulace aniontu středně velkého vodního klastru: Od vnitřního k povrchovému elektronu přes delokalizovaný stav.]
Journal of Physical Chemistry A. Roč. 112, č. 27 (2008), s. 6125-6133. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA ČR(CZ) GA202/06/0286; GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : hydrated electron * water cluster * ab initio molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.871, year: 2008
Permanent Link: http://hdl.handle.net/11104/0004685 - 4.0020937 - ÚOCHB 2006 RIV GB eng J - Journal Article
Svozil, Daniel - Frigato, T. - Havlas, Zdeněk - Jungwirth, Pavel
Ab initio electronic structure of thymine anions.
[Struktura aniontů thyminu z prvních principů.]
Physical Chemistry Chemical Physics. Roč. 7, - (2005), s. 840-845. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT(CZ) LN00A032
Institutional research plan: CEZ:AV0Z4055905
Keywords : dipole-bound anion * valence-bound anion * thymine
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.519, year: 2005
Permanent Link: http://hdl.handle.net/11104/0109980 - 5.0020866 - ÚOCHB 2006 RIV US eng J - Journal Article
Mucha, Martin - Frigato, T. - Levering, L. M. - Allen, H. C. - Tobias, D. J. - Dang, L. X. - Jungwirth, Pavel
Unified molecular picture of the surfaces of aqueous acid, base, and salt solutions.
[Jednotný molekulový pohled na povrchy vodných roztoků kyselin, solí a zásad.]
Journal of Physical Chemistry. B. Roč. 109, - (2005), s. 7617-7623. ISSN 1089-5647
R&D Projects: GA MŠMT(CZ) ME 644
Grant - others:NSF(US) CHE 0431512; NSF(US) ATM-0413893
Institutional research plan: CEZ:AV0Z40550506
Keywords : surfaces * acid * acid
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.679, year: 2003
Permanent Link: http://hdl.handle.net/11104/0109916