Revised charge equilibration parameters for more accurate hydration free energies of alkanes

Chemical Physics Letters

Volumn 484, Issue 4-6, 2010, Pages 173-176

  Davis, Joseph E ^a   Patel, Sandeep ^a  

^a UNIVERSITY OF DELAWARE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKANE MOLECULES; FORCE FIELDS; HYDRATION FREE ENERGIES; MOLECULAR DIPOLE MOMENT; NEW PARAMETERS; RADIAL DISTRIBUTION FUNCTIONS; WATER INTERACTIONS; WATER MOLECULE;

BUTANE; DISTRIBUTION FUNCTIONS; ETHANE; FREE ENERGY; HEXANE; HYDRATION; LIQUEFIED PETROLEUM GAS; PROPANE;

MOLECULES;

EID: 72649107105     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.09.061     Document Type: Article

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