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Study of the Photochemical Properties and Conical Intersections of [2,2′-Bipyridyl]-3-amine-3′-ol

✍ Scribed by Juan Manuel Ortiz-Sánchez; Ricard Gelabert; Miquel Moreno; José M. Lluch

Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
289 KB
Volume
9
Category
Article
ISSN
1439-4235

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## Abstract __Density functional theory and quantum dynamics simulations have been used to study the double‐proton transfer reaction in 2,2′‐bipyridyl‐3,3′‐diol in the first singlet excited electronic state. This process is experimentally known to be branched: It consists of a fast, concerted react