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1 December 2002 H–Vinyl Conical Intersections for Dienes: A Mechanism for the Photochemical Hula Twist
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Abstract

The potential role of “H–vinyl” conical intersections in a photochemical process known as the hula twist has been evaluated. The H–vinyl conical intersections of butadiene are explored with complete active space self-consistent field calculations, and proposals about the geometries involved in the hula-twist mechanism are discussed and contrasted with the conventional one-bond flip mechanism of cistrans isomerization.

Sarah Wilsey and K. N. Houk "H–Vinyl Conical Intersections for Dienes: A Mechanism for the Photochemical Hula Twist," Photochemistry and Photobiology 76(6), 616-621, (1 December 2002). https://doi.org/10.1562/0031-8655(2002)076<0616:HVCIFD>2.0.CO;2
Received: 12 June 2002; Accepted: 1 September 2002; Published: 1 December 2002
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