"Frustration" of orbital interactions in Lewis base/Lewis acid adducts: a computational study of H2 uptake by phosphanylboranes R2P=BR'2
2009
The reaction of mol. hydrogen with phosphanylboranes R2P:BR'2 (1) is systematically studied by d. functional theory calcns. and second order Moller-Plesset perturbation theory. The potential energy ...
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