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- W2034652493 abstract "We present the results of valence effective Hamiltonian (VEH) calculations on the electronic structure of poly(di-n-butylsilane) in its all-trans and 7/3 conformations. The band structure of all-trans conformation is analyzed in detail and the effects of the backbone conformation on the electronic and optical properties are studied. The VEH results for the 2/1 and 7/3 conformations are in excellent quantitative agreement with photoemission and UV-absorption data and show the reliability of the VEH method to deal with organopolysilanes." @default.
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- W2034652493 date "1993-04-01" @default.
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- W2034652493 title "Theoretical study on the effect of backbone conformation on the electronic structure of poly(di-n-butylsilane)" @default.
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- W2034652493 doi "https://doi.org/10.1016/0379-6779(93)90761-k" @default.
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