How well can density functional theory and pair-density functional theory predict the correct atomic charges for dissociation and accurate dissociation energetics of ionic bonds?
出版年份 2018 全文链接
标题
How well can density functional theory and pair-density functional theory predict the correct atomic charges for dissociation and accurate dissociation energetics of ionic bonds?
作者
关键词
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出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 20, Issue 35, Pages 23072-23078
出版商
Royal Society of Chemistry (RSC)
发表日期
2018-08-14
DOI
10.1039/c8cp04280b
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