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The conventional view that the σCC and σCH bonds in alkanes and unsaturated hydrocarbons are so highly localized that their non-steric interactions are negligible is scrutinized by the block-localized wavefunction (BLW) method. Even molecules considered conventionally to be “strain free” and “unperturbed” have surprisingly large and quite significant total σ-BLW-delocalization energies (DEs) due to...
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