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A study of the nuclear conformation and the proton transfer reaction of 3,5-diphenylpyrazole in the excited state

✍ Scribed by M. Swaminathan; S.K. Dogra


Publisher
Elsevier Science
Year
1983
Weight
359 KB
Volume
21
Category
Article
ISSN
0047-2670

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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