A B3LYP and MP2(full) theoretical investigation into the cooperativity effect between dihydrogen-bonding and H-Mâââ&#960; (M = Li, Na, K) interactions among HF, MH with the &#960;-electron donor C2H2, C2H4 or C6H6.

Guo, Jian-feng; Shi, Wen-jing; Ren, Fu-de; Cao, Duan-lin; Zhang, Yuan-sheng

A B3LYP and MP2(full) theoretical investigation into the cooperativity effect between dihydrogen-bonding and H-Mâââπ (M = Li, Na, K) interactions among HF, MH with the π-electron donor C2H2, C2H4 or C6H6.

Guo, Jian-feng; Shi, Wen-jing; Ren, Fu-de; Cao, Duan-lin; Zhang, Yuan-sheng.

Afiliación

Guo JF; College of Chemical Engineering and Environment, North University of China, Taiyuan 030051, China.

J Mol Model ; 19(8): 3153-63, 2013 Aug.

Article en En | MEDLINE | ID: mdl-23620226

Asunto(s)

Electrones; Hidrógeno/química; Litio/química; Potasio/química; Sodio/química; Cationes Monovalentes; Enlace de Hidrógeno; Modelos Moleculares; Termodinámica

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Potasio / Sodio / Electrones / Hidrógeno / Litio Idioma: En Revista: J Mol Model Asunto de la revista: BIOLOGIA MOLECULAR Año: 2013 Tipo del documento: Article País de afiliación: China

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