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Journal of Physical Chemistry B

Volumn 117, Issue 51, 2013, Pages 16388-16396

Refined OPLS all-atom force field parameters for n-pentadecane, methyl acetate, and dimethyl phosphate

(3) Murzyn, Krzysztof a Bratek, Maciej a Pasenkiewicz Gierula, Marta a

a JAGIELLONIAN UNIVERSITY (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

ALL-ATOM FORCE FIELD; DIMETHYL PHOSPHATES; ENTHALPY OF VAPORIZATION; FORCE FIELD PARAMETERS; FREE ENERGY OF HYDRATION; HYDROPHOBIC CORE; ITS APPLICATIONS; METHYL ACETATES;

LIPID BILAYERS; LIPIDS; VOLATILE FATTY ACIDS;

ATOMS;

ACETIC ACID DERIVATIVE; ALKANE; METHYL ACETATE; ORGANOPHOSPHORUS COMPOUND; PENTADECANE; PHOSPHORIC ACID DIMETHYL ESTER;

ARTICLE; CHEMISTRY; CONFORMATION; MOLECULAR DYNAMICS;

ACETATES; ALKANES; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; ORGANOPHOSPHORUS COMPOUNDS;

EID: 84891384729 PISSN: 15206106 EISSN: 15205207 Source Type: Journal
DOI: 10.1021/jp408162d Document Type: Article

Times cited : (58)

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