Application of the hydrated ion concept for modeling aqueous solutions containing highly charged ions: A Monte Carlo simulation of Cr3+ in water using an ab initio intermolecular potential

Journal of Physical Chemistry

Volumn 100, Issue 28, 1996, Pages 11748-11754

  Pappalardo, Rafael R ^a   Martínez, José M ^a   Marcos, Enrique Sánchez ^a  

^a UNIVERSITY OF SEVILLE   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SOLUTIONS; COMPUTER SIMULATION; HYDRATION; IONS; MOLECULAR DYNAMICS; MONTE CARLO METHODS;

AB INITIO CALCULATIONS; CHARGED IONS; HYDRATED IONS; INTERMOLECULAR POTENTIALS; RADIAL DISTRIBUTION FUNCTIONS;

CHROMIUM;

EID: 0030181255     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp952839k     Document Type: Article

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