Study of Cl(-)(H2O)n (n = 1-4) using basin-hopping method coupled with density functional theory. | J Comput Chem;35(2): 159-65, 2014 Jan 15. | MEDLINE

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Study of Cl(-)(H2O)n (n = 1-4) using basin-hopping method coupled with density functional theory.

Jiang, Shuai; Liu, Yi-Rong; Huang, Teng; Wen, Hui; Xu, Kang-Ming; Zhao, Wei-Xiong; Zhang, Wei-Jun; Huang, Wei.

Affiliation

Jiang S; Laboratory of Atmospheric Physico-Chemistry, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei, Anhui, 230031, China.

J Comput Chem ; 35(2): 159-65, 2014 Jan 15.

Article in En | MEDLINE | ID: mdl-24318650

Key words

basin-hopping; benchmark; chloride-solvation; structures; thermodynamics

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2014 Document type: Article Affiliation country: Country of publication:

Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2014 Document type: Article Affiliation country: Country of publication: