Force field parametrization of hydrogenoxalate and oxalate anions with scaled charges
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Title
Force field parametrization of hydrogenoxalate and oxalate anions with scaled charges
Authors
Keywords
Oxalic acid anions, Oxalate, Hydrogenoxalate, Ab initio molecular dynamics, AIMD, Classical molecular dynamics, CMD, Electronic continuum correction, ECCR
Journal
JOURNAL OF MOLECULAR MODELING
Volume 23, Issue 11, Pages -
Publisher
Springer Nature
Online
2017-10-28
DOI
10.1007/s00894-017-3490-x
References
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