Hydration structure and dynamics of a hydroxide ion in water clusters of varying size and temperature: Quantum chemical and ab initio molecular dynamics studies

Chemical Physics

Volumn 400, Issue , 2012, Pages 154-164

  Bankura, Arindam ^a,b   Chandra, Amalendu ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

^b Temple University   (United States)

Author keywords

Ab initio molecular dynamics; Hydroxide ion; Proton transfer; Surface solvation; Water clusters

Indexed keywords

EID: 84861233534     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2012.03.016     Document Type: Article

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