A comparative kirkwood-buff study of aqueous methanol solutions modeled by the charmm additive and drude polarizable force fields

Journal of Physical Chemistry B

Volumn 117, Issue 36, 2013, Pages 10572-10580

  Lin, Bin ^a   He, Xibing ^a   MacKerell, Alexander D ^a  

^a UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS METHANOL SOLUTIONS; CONCENTRATION RANGES; CONCENTRATION-DEPENDENT DIFFUSION; EXCESS MOLAR ENTHALPIES; KIRKWOOD-BUFF INTEGRALS; PARTIAL MOLAR VOLUME; POLARIZABLE FORCE FIELD; SOLVENT-SOLVENT INTERACTIONS;

PHYSICAL CHEMISTRY; PHYSICS;

SOLVENTS;

METHANOL; SOLVENT; WATER;

ARTICLE; CHEMISTRY; MOLECULAR DYNAMICS; SOLUTION AND SOLUBILITY; THERMODYNAMICS;

METHANOL; MOLECULAR DYNAMICS SIMULATION; SOLUTIONS; SOLVENTS; THERMODYNAMICS; WATER;

EID: 84884200747     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp4061889     Document Type: Article

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