Influence of ionic liquids microenvironment on the coupling reaction of epoxide and carbon dioxide: DFT and MD

出版年份 2020 全文链接

标题

作者

关键词

Ionic liquids, Density functional theory, Molecular dynamics, ONIOM

出版物

JOURNAL OF MOLECULAR LIQUIDS

Volume 308, Issue -, Pages 113069

出版商

Elsevier BV

发表日期

2020-04-05

DOI

10.1016/j.molliq.2020.113069

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