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

Acta Chimica Sinica

Volumn 65, Issue 17, 2007, Pages 1797-1806

  Zeng, Xiao Lan ^a,b   Liu, Hong Xia ^a   Liu, Hong Yan ^a  

^a GUILIN INSTITUTE OF TECHNOLOGY   (China)

^b XINYANG NORMAL UNIVERSITY   (China)

Author keywords

Density functional theory (DFT); Polychlorinated diphenyl ether; Position of Cl atom substitution; Relative stability; structural parameter; Thermodynamic property

Indexed keywords

EID: 51949089602     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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