The impact of charges in force field parameterization for molecular dynamics simulations of deep eutectic solvents

标题
The impact of charges in force field parameterization for molecular dynamics simulations of deep eutectic solvents
作者
关键词
Deep eutectic solvents, Molecular dynamics, Force field parameterization, Atomic charges
出版物
JOURNAL OF MOLECULAR LIQUIDS
Volume 211, Issue -, Pages 506-514
出版商
Elsevier BV
发表日期
2015-08-07
DOI
10.1016/j.molliq.2015.07.070

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