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Solvent Effect on the Singlet Excited-state Dynamics of 5-Fluorouracil in Acetonitrile as Compared with Water

✍ Scribed by Gustavsson, Thomas; Sarkar, Nilmoni; Lazzarotto, Elodie; Markovitsi, Dimitra; Barone, Vincenzo; Improta, Roberto


Book ID
120521200
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
121 KB
Volume
110
Category
Article
ISSN
0022-3654

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Cover Picture: QM/MM Car-Parrinello Mole
✍ Ute F. RΓΆhrig; Irmgard Frank; JΓΌrg Hutter; Alessandro Laio; Joost VandeVondele; πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 23 KB

## Abstract **The cover picture shows**…︁β€₯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