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- W2051275139 abstract "We consider retinal and its related compounds in planar configuration provided they have no ionic structure, and we extend the ordinary INDO-CI method to calculate their bond lengths in consistence with their electronic states. One of the important features of our extended UNDO-CI method is that each bond length is calculated as a function of bond order which is similar to the Coulson type of relation derived by the π-electron approximation. The extended INDO-CI calculations of the bond lengths, electronic structure and optical absorptions of the molecules indicate that the previous results, which were obtained by Suzuki et al. using the π-electron approximation, are reasonable." @default.
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- W2051275139 date "1988-04-15" @default.
- W2051275139 modified "2023-09-24" @default.
- W2051275139 title "Theory of Retinal and Its Related Compounds by the Extended INDO-CI Method Taking Account of the Change in Bond Lengths in Consistence with Electronic States" @default.
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- W2051275139 doi "https://doi.org/10.1143/jpsj.57.1497" @default.
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