Open AccessForce field parameter estimation of functional perfluoropolyether lubricants
Author(s) -
Robert L. Smith,
Pil Seung Chung,
Janice A. Steckel,
Myung S. Jhon,
Lorenz T. Biegler
Publication year - 2011
Publication title -
journal of applied physics
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 0.699
H-Index - 319
eISSN - 1089-7550
pISSN - 0021-8979
DOI - 10.1063/1.3556700
Subject(s) - force field (fiction) , hessian matrix , molecular dynamics , dihedral angle , granularity , statistical physics , ab initio , potential energy , energy minimization , field (mathematics) , materials science , classical mechanics , computational chemistry , physics , molecule , chemistry , computer science , mathematics , quantum mechanics , hydrogen bond , pure mathematics , operating system
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