Density functional investigation of hydrated V(II) and V(III) ions: Influence of the second coordination sphere; water exchange mechanism

Journal of Physical Chemistry A

Volumn 107, Issue 20, 2003, Pages 4122-4129

  Benmelouka, Meriem ^a   Messaoudi, Sabri ^a   Furet, Eric ^a   Gautier, Régis ^a   Le Fur, Eric ^a   Pivan, Jean Yves ^a  

^a UNIV RENNES   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL ACTIVATION; CONFORMATIONS; HYDRATION; HYDROGEN BONDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; WATER;

ACTIVATION BARRIERS; AQUEOUS CHEMISTRY; POLARIZABLE CONTINUUM MODEL; SECOND COORDINATION SPHERE; WATER EXCHANGE MECHANISM;

IONS;

EID: 84962384540     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp026697n     Document Type: Article

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