Ion pairing in molecular simulations of aqueous alkali halide solutions

Journal of Physical Chemistry B

Volumn 113, Issue 19, 2009, Pages 6782-6791

  Fennell, Christopher J ^a   Bizjak, Alan ^b   Vlachy, Vojko ^b   Dill, Ken A ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF LJUBLJANA   (Slovenia)

Author keywords

[No Author keywords available]

Indexed keywords

DYNAMICS; EQUILIBRIUM CONSTANTS; MOLECULAR DYNAMICS; SOLUTIONS; STATISTICAL TESTS;

ALKALI HALIDES; ANION SIZE; ASSOCIATION EQUILIBRIA; CLASSICAL MOLECULAR DYNAMICS; COLLINS; CONTACT ION PAIRS; GOOD CORRELATIONS; ION PAIRING; ION PAIRS; ION-ION INTERACTION; MOLECULAR SIMULATIONS; PARAMETER SET; POTENTIALS OF MEAN FORCES; SOLVENT STRUCTURES; WATER AFFINITY;

IONS;

EID: 67650084578     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp809782z     Document Type: Article

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