Probing the accuracy of reactive and non-reactive force fields to describe physical and chemical properties of graphene-oxide

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Title
Probing the accuracy of reactive and non-reactive force fields to describe physical and chemical properties of graphene-oxide
Authors
Keywords
Graphene oxide, Molecular dynamics, REBO-CHO, COMB3, CHARMM
Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 114, Issue -, Pages 236-243
Publisher
Elsevier BV
Online
2016-01-09
DOI
10.1016/j.commatsci.2015.12.030

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