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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
YP10004000005.pdf
[fulltext] 687 KB
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