Methanol carbonylation over acid mordenite: Insights from ab initio molecular dynamics and machine learning thermodynamic perturbation theory

出版年份 2021 全文链接

标题

作者

关键词

Acidic zeolites, Methanol carbonylation, Ab initio molecular dynamics, Free energy perturbation theory, Machine learning

出版物

Volume -, Issue -, Pages -

出版商

Elsevier BV

发表日期

2021-02-21

DOI

10.1016/j.jcat.2021.02.011

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