Charge distributions in molecular orbitals

Another approach has been to try and determine the positive charge distribution in the reactive ion from consideration of the electron distribution in the highest-occupied molecular orbital (HOMO) of the neutral [390, 391, 392, 549, 733]. The positive charge distribution is used to predict the relative probabilities of different bond scissions [390]. 

The alternative view [705], and the one found in mass spectrometry, is to consider that rotation influences the rate by altering the effective critical energy. Equation (1) can be extended, as in eqn. (2), to include the effect of rotation, viz. 

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