Molecular Orbital Calculations of Polychlorinated Dibenzo-p-dioxins
山口県立大学大学院論集 Volume 4
Page 51-58
published_at 2003
Title
ポリ塩化ジベンゾ-p-ダイオキシンの電子構造解析に関する理論的研究
Molecular Orbital Calculations of Polychlorinated Dibenzo-p-dioxins
Creators
Ihara Yasuji
Source Identifiers
Ab intio, DFT, and semi-emprical calculations served to investigate the relationship of chemical structures and biological toxicity of polychlorinated dibenzo-p-dioxins (PCDDs). Calculated values of absolute hardness(η)and absoletr electronegativity(x) on
Languages
jpn
Resource Type
departmental bulletin paper
Publishers
山口県立大学
Date Issued
2003
File Version
Version of Record
Access Rights
open access