Direct comparisons of experimental and calculated neutron structure factors of pure solvents as a method for force field validation

Journal of Physical Chemistry B

Volumn 111, Issue 45, 2007, Pages 12941-12944

  Thomas, Jennie L ^a   Tobias, Douglas J ^a   MacKerell Jr , Alexander D ^b  

^a UNIVERSITY OF CALIFORNIA   (United States)

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

Author keywords

[No Author keywords available]

Indexed keywords

METHANOL; MOLECULAR DYNAMICS; POLARIZATION; WATER;

ELECTRONIC POLARIZATION; FORCE FIELD VALIDATION; NEUTRON STRUCTURE FACTORS; PURE SOLVENTS; TETRAHYDROFURANS;

NEUTRONS;

EID: 36649034856     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp076501p     Document Type: Article

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