1.M06-SX screened-exchange density functional for chemistry and solid-state physics

作　　者：Ying Wang ;Pragya Verma ;Lujia Zhang 等

出　　处：Proceedings of the National Academy of Sciences. 2020 ;117(5):2294-2301.doi:10.1073/pnas.1913699117

出版社：The National Academy of Sciences of the United States of America

文章 ID：243452224

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2.Association of Cl with C2H2 by unified variable-reaction-coordinate and reaction-path variational transition-state theory

作　　者：Linyao Zhang ;Donald G. Truhlar ;Shaozeng Sun

出　　处：Proceedings of the National Academy of Sciences. 2020 ;117(11):5610-5616.doi:10.1073/pnas.1920018117

出版社：The National Academy of Sciences of the United States of America

文章 ID：244848675

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3.Quantum mechanical reaction rate constants by vibrational configuration interaction: The OH + H2→H2O + H reaction as a function of temperature

作　　者：Arindam Chakraborty ;Donald G. Truhlar

出　　处：Proceedings of the National Academy of Sciences. 2005 ;102(19):6744-6749.doi:10.1073/pnas.0408048102

出版社：The National Academy of Sciences of the United States of America

文章 ID：200591208

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4.Revised M06-L functional for improved accuracy on chemical reaction barrier heights, noncovalent interactions, and solid-state physics

作　　者：Ying Wang ;Xinsheng Jin ;Haoyu S. Yu 等

出　　处：Proceedings of the National Academy of Sciences. 2017 ;114(32):8487-8492.doi:10.1073/pnas.1705670114

出版社：The National Academy of Sciences of the United States of America

文章 ID：200343431

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5.Unimolecular reaction of acetone oxide and its reaction with water in the atmosphere

作　　者：Bo Long ;Junwei Lucas Bao ;Donald G. Truhlar

出　　处：Proceedings of the National Academy of Sciences. 2018 ;115(24):6135-6140.doi:10.1073/pnas.1804453115

出版社：The National Academy of Sciences of the United States of America

文章 ID：218258341

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6.Revised M06 density functional for main-group and transition-metal chemistry

作　　者：Ying Wang ;Pragya Verma ;Xinsheng Jin 等

出　　处：Proceedings of the National Academy of Sciences. 2018 ;115(41):10257-10262.doi:10.1073/pnas.1810421115

出版社：The National Academy of Sciences of the United States of America

文章 ID：219785335

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7.Barrierless association of CF2 and dissociation of C2F4 by variational transition-state theory and system-specific quantum Rice–Ramsperger–Kassel theory

作　　者：Junwei Lucas Bao ;Xin Zhang ;Donald G. Truhlar

出　　处：Proceedings of the National Academy of Sciences. 2016 ;113(48):13606-13611.doi:10.1073/pnas.1616208113

出版社：The National Academy of Sciences of the United States of America

文章 ID：187741483

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8.Kinetics of the Toluene Reaction with OH Radical

作　　者：Rui Ming Zhang ;Donald G. Truhlar ;Xuefei Xu

出　　处：Research. 2019 ;2019:1-19.doi:10.34133/2019/5373785

出版社：American Association for the Advancement of Science

文章 ID：1027241253

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	有本地全文	5篇
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	Donald G. Truhlar	8篇
	Xiao He	3篇
	Ying Wang	3篇
	Junwei Lucas Bao	2篇
	Pragya Verma	2篇

	Xinsheng Jin	2篇
	Arindam Chakraborty	1篇
	Bo Long	1篇
	Haoyu S. Yu	1篇
	Linyao Zhang	1篇
	Lujia Zhang	1篇
	Rui Ming Zhang	1篇
	Shaozeng Sun	1篇
	Xin Zhang	1篇
	Xuefei Xu	1篇
	Yaqi Li	1篇
	Zhonghua Liu	1篇

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	Proceedings of the National Academy of Sciences	7篇
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