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Bickelhaupt, F. M.; Houk, K. N.,  Angew. Chem. Int. Ed. 2017, 56, 10070-10086Contributed by Steven BacharachReposted from Computational Organic Chemistry with permissionBickelhaupt and Houk present a nice review of their separately developed, but conceptually...
Bickelhaupt and Houk present a nice review of their separately developed, but conceptually identical model for assessing reactivity.1 Houk termed this the distortion/interaction model,2 while Bickelhaupt named it activation strain.3 The concept is that the...
A couple of years ago Ess and Houk described computations on the cycloaddition reactions of ethene and ethyne with 9 different 1,3-dipoles 1-9.1,2Two interesting results were noted: (a) though barrier heights systematically decreased with the decreasing HOMO-LUMO...