Accurate and Efficient Prediction of Post-Hartree-Fock Polarizabilities of Condensed-Phase Systems.

Zhao, Dongbo; Zhao, Yilin; He, Xin; Li, Yunzhi; Ayers, Paul W; Liu, Shubin

Zhao, Dongbo; Zhao, Yilin; He, Xin; Li, Yunzhi; Ayers, Paul W; Liu, Shubin.

Afiliação

Zhao D; Institute of Biomedical Research, Yunnan University, Kunming 650500, P. R. China.
Zhao Y; Department of Chemistry and Chemical Biology, McMaster University, Hamilton, ON L8S 4M1, Canada.
He X; Qingdao Institute for Theoretical and Computational Sciences, Shandong University, Qingdao 266237, P. R. China.
Li Y; School of Chemistry and Chemical Engineering, Linyi University, Linyi 276000, P. R. China.
Ayers PW; Department of Chemistry and Chemical Biology, McMaster University, Hamilton, ON L8S 4M1, Canada.
Liu S; Research Computing Center, University of North Carolina, Chapel Hill, North Carolina 27599-3420, United States.

J Chem Theory Comput ; 19(18): 6461-6470, 2023 Sep 26.

Article em En | MEDLINE | ID: mdl-37676647

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2023 Tipo de documento: Article País de publicação: Estados Unidos

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