Benchmarking density functional theory predictions of framework structures and properties in a chemically diverse test set of metal–organic frameworks
出版年份 2015 全文链接
标题
Benchmarking density functional theory predictions of framework structures and properties in a chemically diverse test set of metal–organic frameworks
作者
关键词
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出版物
Journal of Materials Chemistry A
Volume 3, Issue 44, Pages 22432-22440
出版商
Royal Society of Chemistry (RSC)
发表日期
2015-09-30
DOI
10.1039/c5ta03864b
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