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Structure, Dynamics, and Reactivity of Hydrated Electrons by Ab Initio Molecular Dynamics
- 1.0376290 - ÚOCHB 2013 RIV US eng J - Journal Article
Maršálek, Ondřej - Uhlig, Frank - Vandevondele, J. - Jungwirth, Pavel
Structure, Dynamics, and Reactivity of Hydrated Electrons by Ab Initio Molecular Dynamics.
Accounts of Chemical Research. Roč. 45, č. 1 (2012), s. 23-32. ISSN 0001-4842. E-ISSN 1520-4898
R&D Projects: GA ČR GA203/08/0114; GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : solvated electron * water clusters * ab initio molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 20.833, year: 2012
In this review we discuss our investigations of electrons solvated in water by means of ab initio molecular dynamics simulations.
Permanent Link: http://hdl.handle.net/11104/0208732
Number of the records: 1