Comparative study of commonly used molecular dynamics force fields for modeling organic monolayers on water

Journal of Physical Chemistry B

Volumn 115, Issue 14, 2011, Pages 3964-3971

  Plazzer, Michael B ^a   Henry, David J ^a   Yiapanis, George ^a   Yarovsky, Irene ^a  

^a RMIT UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DYNAMICS; MONOLAYERS;

ALL-ATOM FORCE FIELD; AQUEOUS INTERFACES; COMPARATIVE STUDIES; EXPERIMENTAL DATA; FORCE FIELDS; GROMOS96; ORGANIC MONOLAYERS; SURFACE DENSITY; SYSTEM SIZE; UNITED ATOM FORCE FIELD;

ATOMS;

EID: 79953777591     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp1116867     Document Type: Article

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