DFT study on the structural parameters and thermodynamic properties of polychlorinated diphenyl sulfides

Acta Chimica Sinica

Volumn 66, Issue 10, 2008, Pages 1139-1150

  Zhu, Hong Wei ^a   Jiang, Jian Lin ^b   Wang, Zun Yao ^b   Wang, Lian Sheng ^c   Yu, Hong Xia ^c  

^a FUDAN UNIVERSITY   (China)

^b JIAXING UNIVERSITY   (China)

^c NANJING UNIVERSITY   (China)

Author keywords

DFT method; Polychlorinated diphenyl sulfide; Position of Cl atom substitution method; Relative stability; Structural parameter; Thermodynamic property

Indexed keywords

EID: 80052945901     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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