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Revised charge equilibrium potential for liquid alkanes

Authors :
Davis, Joseph E.
Warren, G. Lee
Patel, Sandeep
Source :
Journal of Physical Chemistry B. July 17, 2008, Vol. 112 Issue 28, 8298-8310
Publication Year :
2008

Abstract

A revised polarizable force field for alkanes based on the charge equilibrium formalism is described. The revised force field has offered an improved overall description of the properties relative to the original parametrization.

Details

Language :
English
ISSN :
15206106
Volume :
112
Issue :
28
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry B
Publication Type :
Academic Journal
Accession number :
edsgcl.183277730