Abstract
The second order Brillouin-Wigner perturbation expansion with the Epstein-Nesbet partitioning is applied to some isomerization and insertion reactions, using the 6-31G* basis set. BWEN2 is found to be comparable in accuracy with RSMP2 for predictions of energy barriers and isomerization energies.
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Gordon, M.S. Application of second order BWEN perturbation theory to some simple reactions. Theoret. Chim. Acta 62, 563–565 (1983). https://doi.org/10.1007/BF00557931
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DOI: https://doi.org/10.1007/BF00557931