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Theoretical Studies of the Ground and Excited State Structures of Stilbene

✍ Scribed by Chaudhuri, Rajat K.; Freed, Karl F.; Chattopadhyay, Sudip; Mahapatra, Uttam Sinha

Book ID
120225429
Publisher
American Chemical Society
Year
2013
Tongue
English
Weight
452 KB
Volume
117
Category
Article
ISSN
1089-5639

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Using spin-unrestricted density functional theory (the VWN Becke-Perdew potential), including broken-symmetry and spin-projection methods, we have obtained the potential-energy curves as a function of the central torsional angle of stilbene in the ground (S0), the first excited triplet (T1), the fir