Ab initio MO study on the S1 ← S0 transitions of polychlorinated dibenzo-p-dioxins

Journal of Molecular Structure: THEOCHEM

Volumn 622, Issue 3, 2003, Pages 229-237

  Hirokawa, Shoji ^a   Imasaka, Tomoko ^a   Urakami, Yoshihiro ^a  

^a KYUSHU UNIVERSITY   (Japan)

Author keywords

Dibenzo p dioxin; Excited state; Polychlorinated dibenzo p dioxins; S1 S0 transition; Substituent effect

Indexed keywords

BENZENE; CHLORINE; DIBENZODIOXIN DERIVATIVE; POLYBROMINATED DIBENZODIOXIN;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CRYSTAL STRUCTURE; ENERGY TRANSFER; GEOMETRY; MOLECULAR DYNAMICS; X RAY CRYSTALLOGRAPHY;

EID: 0037454159     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00648-6     Document Type: Article

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