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Hydrogen Forms in Water by Proton Transfer to a Distorted Electron
- 1.0342495 - 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
Ab initio molecular dynamics simulations allow us to unravel with molecular resolution the ultrafast reaction mechanism by which the electron and proton react in water.
Permanent Link: http://hdl.handle.net/11104/0005870
Number of the records: 1