Search results

  1. 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. 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. 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. 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. 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
     
     


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