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- W2077778846 abstract "Ab initio crystal orbital calculations using a Christoffersen basis set have been performed on the relative stabilities of model polyacetylene chains. Results indicate the all-trans isomer as the most stable. Among the cis structures, the cis-transoid backbone is very slightly preferred to the trans-cisoid backbone." @default.
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- W2077778846 date "1982-05-01" @default.
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- W2077778846 title "Ab initio Hartree—Fock calculations of model polyacetylene chains using a Christoffersen basis set" @default.
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- W2077778846 doi "https://doi.org/10.1016/0166-1280(82)80003-1" @default.
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