DFT calculations for the structure and properties of polychlorodibenzo- para-dioxine anion-radicals

Journal of Structural Chemistry

Volumn 46, Issue 4, 2006, Pages 591-595

  Borisov, Yu A ^a   Garrett, B C ^b   Mazunov, V A ^c   Nekrasov, Yu S ^a  

^a A N NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS   (Russian Federation)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^c INSTITUTE OF PHYSICS OF MOLECULES AND CRYSTALS   (Russian Federation)

Author keywords

Anion radicals; Asymmetric structure of 2,3,7,8 TCDD AR; B3LYP calculation; Electron affinity energy; Polychlorodibenzo para dioxines

Indexed keywords

EID: 33746793848     PISSN: 00224766     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10947-006-0175-1     Document Type: Article

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