A combined quantum chemical statistical mechanical simulation of the hydration of Li+, Na+, F-, and Cl-

Journal of Physical Chemistry B

Volumn 108, Issue 24, 2004, Pages 8452-8459

  Öhrn, Anders ^a   Karlström, Gunnar ^a  

^a CHEMICAL CENTER   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; IONS; MATHEMATICAL MODELS; OSCILLATIONS; POLARIZATION; QUANTUM THEORY; STATISTICAL METHODS;

COORDINATION NUMBERS (CN); RADIAL DISTRIBUTION FUNCTIONS; SOLVATION;

HYDRATION;

EID: 17144443030     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp049303w     Document Type: Article

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