Avoiding fractional electrons in subsystem DFT based ab-initio molecular dynamics yields accurate models for liquid water and solvated OH radical
出版年份 2016 全文链接
标题
Avoiding fractional electrons in subsystem DFT based ab-initio molecular dynamics yields accurate models for liquid water and solvated OH radical
作者
关键词
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出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 144, Issue 23, Pages 234105
出版商
AIP Publishing
发表日期
2016-06-22
DOI
10.1063/1.4953363
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