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From a localized H3O radical to a delocalized H3O+ . . .e- solvent-separated pair by sequential hydration
- 1.0361385 - ÚOCHB 2012 RIV GB eng J - Journal Article
Uhlig, Frank - Maršálek, Ondřej - Jungwirth, Pavel
From a localized H3O radical to a delocalized H3O+ . . .e- solvent-separated pair by sequential hydration.
Physical Chemistry Chemical Physics. Roč. 13, č. 31 (2011), s. 14003-14009. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR GA203/08/0114; GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : solvated electron * H3O radical * ab initio molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.573, year: 2011
The impact of microhydration on the electronic structure and reactivity of the H3O moiety in small water clusters is investigated by ab initio calculations.
Permanent Link: http://hdl.handle.net/11104/0198708
Number of the records: 1