Performance of the VBSCF method for pericyclic and π bond shift reactions
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DOI: 10.1002/jcc.25729
Abstract: The performance of the valence bond self‐consistent field (VBSCF) method was investigated in this paper by predicting the activation barriers and reaction energies in pericyclic and π bond shift reactions for hydrocarbons. The benchmarking set… read more here.
Keywords: bond; shift reactions; vbscf method; bond shift ... See more keywords