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Accession number;04A0436008
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| Title;Similarity of Frontier Orbitals - Dioxin Congeners - |
| Author;
MIZUKAMI YOSHIHIRO
(Shiga Univ., Fac. Education, JPN)
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Journal Title;Nippon Kagakkai Koen Yokoshu
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Journal Code:S0493A
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ISSN:0285-7626
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VOL.84th;NO.1;PAGE.7(2004)
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| Figure&Table&Reference;TBL.1 |
| Pub. Country;Japan |
| Language;Japanese |
| Abstract;We have performed calculations of highest occupied molecular orbitals(HOMOs) of 76 dioxin congeners. Dioxin has a common frame structure including 12 carbons and 2 oxygens. Overlap integrals on the common frame structure between each dioxin congener and a dioxin with no chlorine atom are calculated. From these, we can estimate the similarity of HOMOs of dioxins. (author abst.) |
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