The hydration of the OH radical: Microsolvation modeling and statistical mechanics simulation

Journal of Chemical Physics

Volumn 119, Issue 14, 2003, Pages 7344-7355

  Cabral Do Couto, P ^a,b   Guedes, R C ^a,b   Cabral, B J Costa ^a,b   Martinho Simoes, J A ^a  

^a UNIVERSITY OF LISBON   (Portugal)

^b UNIVERSITY OF LISBON   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CALCULATIONS; COMPUTER SIMULATION; FREE RADICALS; HYDRATION; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; STATISTICAL MECHANICS; WATER;

DENSITY FUNCTIONAL THEORY; HYDRATION ENTHALPY; HYDROXYL RADICAL; MICROSOLVATION MODELLING;

MOLECULAR DYNAMICS;

EID: 0142180088     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1605939     Document Type: Article

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