Calculation of Transport Parameters Using <i>ab initio</i> and AMOEBA Polarizable Force Field Methods.

Zhu, Heyuan; Wang, Wei; Li, Zhiwei; Ma, Dandan; Lin, Xiaomin; Li, Jun; Wang, Qiantao; Ma, Jianyi

Calculation of Transport Parameters Using ab initio and AMOEBA Polarizable Force Field Methods.

Zhu, Heyuan; Wang, Wei; Li, Zhiwei; Ma, Dandan; Lin, Xiaomin; Li, Jun; Wang, Qiantao; Ma, Jianyi.

Afiliación

Zhu H; Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, P. R. China.
Wang W; Key Laboratory of Drug-Targeting and Drug Delivery System of the Education Ministry and Sichuan Province, Sichuan Engineering Laboratory for Plant-Sourced Drug and Sichuan Research Center for Drug Precision Industrial Technology, West China School of Pharmacy, Sichuan University, Chengdu 610041, P.
Li Z; Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, P. R. China.
Ma D; Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, P. R. China.
Lin X; Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, P. R. China.
Li J; Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, P. R. China.
Wang Q; School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044, P. R. China.
Ma J; Key Laboratory of Drug-Targeting and Drug Delivery System of the Education Ministry and Sichuan Province, Sichuan Engineering Laboratory for Plant-Sourced Drug and Sichuan Research Center for Drug Precision Industrial Technology, West China School of Pharmacy, Sichuan University, Chengdu 610041, P.

J Phys Chem A ; 125(22): 4918-4927, 2021 Jun 10.

Article en En | MEDLINE | ID: mdl-34038116

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: J Phys Chem A Asunto de la revista: QUIMICA Año: 2021 Tipo del documento: Article Pais de publicación: Estados Unidos

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