BBAH

Bent bonds from geminals!

For many years we have sought computational support for the bent bond/antiperiplanar hypothesis (BBAH). The concept of geminals1 (two-electron orbitals) in quantum chemistry addresses many of the inherent issues stemming from the one-electron formalism that […]

BBAH

BBAH Paper #18

A new mechanism for the thermal and photochemical Diels-Alder cycloaddition based on the bent bond/antiperiplanar hypothesis orbital model  The thermal and photochemical stereochemical reactivity of norbornene derivatives (Diels-Alder, retro- Diels-Alder, Cope rearrangement) can be rationalized […]

BBAH

BBAH Paper #17

Stereochemistry of Eʹ and Eʹʹ decarboxylative-dehydration reactions and the bent bond / antiperiplanar hypothesis orbital model The known concerted decarboxylative-dehydration reaction of unsaturated hydroxy-carboxylic acids is analyzed through the Bent Bond/Antiperiplanar Hypothesis (BBAH), which considers […]