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 |
推荐引用方式 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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