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- W1972304881 abstract "The barrier to internal rotation in allene is computed to be 72·7 kcal/mole from an LCAO SCF computation using 41 Gaussian basis orbitals. The results are compared to predictions from a simple Hückel calculation. Attempts to interpret the rotation barrier simply in terms of the allene orbitals fail." @default.
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- W1972304881 date "1970-01-01" @default.
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- W1972304881 title "The internal rotation barrier in allene" @default.
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- W1972304881 doi "https://doi.org/10.1016/s0040-4020(01)93052-2" @default.
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