Hydroxyl radical and hydroxide ion in liquid water: A comparative electron density functional theory study

Journal of Physical Chemistry B

Volumn 109, Issue 49, 2005, Pages 23605-23610

  Vassilev, Peter ^a   Louwerse, Manuel J ^a   Baerends, Evert Jan ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; COMPUTER SIMULATION; DIFFUSION; HYDROGEN BONDS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION;

BECKE - LEE - YANG- PARR (BLYP) EXCHANGE-CORRELATION FUNCTIONAL; HYDROXIDE ION; HYDROXY RADICAL;

FLOW OF FLUIDS;

EID: 30544449582     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp044751p     Document Type: Article

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