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Journal of Computational Chemistry

Volumn 35, Issue 21, 2014, Pages 1577-1591

A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field

(4) Devereux, Mike a Gresh, Nohad b Piquemal, Jean Philip c Meuwly, Markus a

a UNIVERSITY OF BASEL (Switzerland)

b UNIVERSITÉ PARIS DESCARTES (France)

c LABORATOIRE DE CHIMIE THÉORIQUE (France)

Author keywords

I NoLLS; parameter fitting; parametrization; polarizable force field; SIBFA

Indexed keywords

CHEMISTRY;

I-NOLLS; PARAMETER FITTING; PARAMETRIZATIONS; POLARIZABLE FORCE FIELD; SIBFA;

COMPUTATIONAL CHEMISTRY;

FORMAMIDE; FORMAMIDE DERIVATIVE; IMIDAZOLE; IMIDAZOLE DERIVATIVE; MAGNESIUM; WATER;

CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION;

COMPUTER SIMULATION; FORMAMIDES; IMIDAZOLES; MAGNESIUM; MODELS, CHEMICAL; WATER;

EID: 84903300627 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.23661 Document Type: Article

Times cited : (25)

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