Performance of various models in structural characterization of n -butanol: Molecular dynamics and X-ray scattering studies

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Title
Performance of various models in structural characterization of n -butanol: Molecular dynamics and X-ray scattering studies
Authors
Keywords
GROMOS, CHARMM, OPLS, AMBER, TraPPE, Complemented system approach
Journal
JOURNAL OF MOLECULAR LIQUIDS
Volume 229, Issue -, Pages 346-357
Publisher
Elsevier BV
Online
2016-12-24
DOI
10.1016/j.molliq.2016.12.057

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