DFT study of solvent effects for some organic molecules using a polarizable continuum model

Journal of Solution Chemistry

Volumn 35, Issue 6, 2006, Pages 869-878

  Wang, Ying ^a   Cheng, Xinlu ^a   Yang, Xiangdong ^a   Yang, Xiong ^a  

^a SICHUAN UNIVERSITY   (China)

Author keywords

B3LYP; B3P86; Dipole moment; MP4 methods; Polarizable continuum model; Solvation free energy

Indexed keywords

EID: 84962441146     PISSN: 00959782     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10953-006-9034-0     Document Type: Article

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