A dynamic and electrostatic potential prediction of the prototropic tautomerism between imidazole 3-oxide and 1-hydroxyimidazole in external electric field.

Wang, Yong; Ren, Fu-de; Cao, Duan-Lin

Wang, Yong; Ren, Fu-de; Cao, Duan-Lin.

Afiliação

Wang Y; School of Chemical Engineering and Technology, North University of China, Shanxi Taiyuan, 030051, China.
Ren FD; School of Chemical Engineering and Technology, North University of China, Shanxi Taiyuan, 030051, China. fdren888@126.com.
Cao DL; School of Chemical Engineering and Technology, North University of China, Shanxi Taiyuan, 030051, China.

J Mol Model ; 25(11): 330, 2019 Oct 28.

Article em En | MEDLINE | ID: mdl-31659461

Palavras-chave

Dynamics; External electric field; Imidazole 3-oxide; Prototropic tautomerism; Surface Electrostatic potential

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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2019 Tipo de documento: Article

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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2019 Tipo de documento: Article