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Transition State Infrared Spectra for the Trans→Cis Isomerization of a Simple Peptide Model

✍ Scribed by Sahai, Michelle A.; Szöri, Milán; Viskolcz, Bela; Pai, Emil F.; Csizmadia, Imre G.

Book ID
125996878
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
757 KB
Volume
111
Category
Article
ISSN
1089-5639

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## Abstract The possibility of population of the lowest‐lying triplet state (__T__~1~) in the early events of the photochemical isomerization process of a model chromophore of Rhodopsin (Rh) has been analyzed using multireference perturbation theory (CASPT2//CASSCF) methods. It is shown that the ch