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Solvent Effect on the Singlet Excited-State Lifetimes of Nucleic Acid Bases: A Computational Study of 5-Fluorouracil and Uracil in Acetonitrile and Water

✍ Scribed by Santoro, Fabrizio; Barone, Vincenzo; Gustavsson, Thomas; Improta, Roberto

Book ID: 120467867
Publisher: American Chemical Society
Year: 2006
Tongue: English
Weight: 369 KB
Volume: 128
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja0657861

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## Abstract **The cover picture shows**…︁‥the solvent effect of water upon the lowest‐lying singlet excitation in acetone. The transition, which involves the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), is blue‐shifted in water (sol) with respect to