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Theoretical studies on the hydration of formic acid by ab initio and ABEEM sigma pi fluctuating charge model
Chen, SL; Zhao, DX; Gong, LD; Yang, ZZ
刊名Theoretical Chemistry Accounts: Theory, Computation, and Modeling
2010
卷号Vol.127 No.5-6页码:627-639
关键词ELECTRONEGATIVITY EQUALIZATION METHOD HYDROGEN-BONDED COMPLEXES CORRELATED MOLECULAR CALCULATIONS WATER POTENTIAL FUNCTION GAUSSIAN-BASIS SETS CIS-HCOOH BONDING INTERACTION CARBOXYLIC-ACIDS LIQUID WATER FORCE-FIELDS
ISSN号1432-881X;1432-2234
URL标识查看原文
内容类型期刊论文
URI标识http://www.corc.org.cn/handle/1471x/1854383
专题辽宁师范大学
作者单位Liaoning Normal Univ, Sch Chem & Chem Engn, Dalian 116029, Peoples R China        Liaoning Normal University
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GB/T 7714
Chen, SL,Zhao, DX,Gong, LD,et al. Theoretical studies on the hydration of formic acid by ab initio and ABEEM sigma pi fluctuating charge model[J]. Theoretical Chemistry Accounts: Theory, Computation, and Modeling,2010,Vol.127 No.5-6:627-639.
APA Chen, SL,Zhao, DX,Gong, LD,&Yang, ZZ.(2010).Theoretical studies on the hydration of formic acid by ab initio and ABEEM sigma pi fluctuating charge model.Theoretical Chemistry Accounts: Theory, Computation, and Modeling,Vol.127 No.5-6,627-639.
MLA Chen, SL,et al."Theoretical studies on the hydration of formic acid by ab initio and ABEEM sigma pi fluctuating charge model".Theoretical Chemistry Accounts: Theory, Computation, and Modeling Vol.127 No.5-6(2010):627-639.
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