Title: |
Analyses of the ‘‘allowed’’ inversion barriers of H2O and NH3: Incompleteness of the Woodward–Hoffmann HOMO–LUMO symmetry ideas due to neglect of 〈φ0i‖ΔNA‖φ0i〉 molecular orbital terms |
Source: |
Journal of Chemical Physics
[0021-9606]
Edmiston,
C
yr:1986
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