Efficient computation of free energy surfaces of chemical reactions using ab initio molecular dynamics with hybrid functionals and plane waves
出版年份 2020 全文链接
标题
Efficient computation of free energy surfaces of chemical reactions using
ab initio
molecular dynamics with hybrid functionals and plane waves
作者
关键词
-
出版物
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume -, Issue -, Pages -
出版商
Wiley
发表日期
2020-05-15
DOI
10.1002/jcc.26222
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