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	When does a functional correctly describe both the structure and the energy of the transition state?
	Su, Neil Qiang; Pernot, Pascal; Xu, Xin; Savin, Andreas
刊名	JOURNAL OF MOLECULAR MODELING
	2017
卷号	23期号:2
关键词	Benchmarks Density functional theory Method selection Uncertainty quantification
ISSN号	1610-2940
URL标识	查看原文
语种	英语
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/3610718
专题	复旦大学上海医学院
推荐引用方式 GB/T 7714	Su, Neil Qiang,Pernot, Pascal,Xu, Xin,et al. When does a functional correctly describe both the structure and the energy of the transition state?[J]. JOURNAL OF MOLECULAR MODELING,2017,23(2).
APA	Su, Neil Qiang,Pernot, Pascal,Xu, Xin,&Savin, Andreas.(2017).When does a functional correctly describe both the structure and the energy of the transition state?.JOURNAL OF MOLECULAR MODELING,23(2).
MLA	Su, Neil Qiang,et al."When does a functional correctly describe both the structure and the energy of the transition state?".JOURNAL OF MOLECULAR MODELING 23.2(2017).

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