A molecular dynamics study of the hydroxyl radical in solution applying self-interaction-corrected density functional methods

Physical Chemistry Chemical Physics

Volumn 7, Issue 7, 2005, Pages 1363-1367

  Vande Vondele, Joost ^a   Sprik, Michiel ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROXYL RADICAL;

ANALYTIC METHOD; AQUEOUS SOLUTION; CALCULATION; CLUSTER ANALYSIS; CONFERENCE PAPER; DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; SIMULATION;

COMPUTER SIMULATION; HYDROXYL RADICAL; MODELS, CHEMICAL; QUANTUM THEORY; SOLUTIONS;

EID: 17144388610     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b501603g     Document Type: Conference Paper

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