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Volumn 484, Issue 4-6, 2010, Pages 173-176
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Revised charge equilibration parameters for more accurate hydration free energies of alkanes
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Author keywords
[No Author keywords available]
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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;
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EID: 72649107105
PISSN: 00092614
EISSN: None
Source Type: Journal
DOI: 10.1016/j.cplett.2009.09.061 Document Type: Article |
Times cited : (9)
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References (30)
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