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Effects of solvents and substituents controlling the adiabatic or diabatic modes of the cis → trans isomerization of styrylpyrenes in the excited singlet state

✍ Scribed by Yoshihiko Kikuchi; Hiroaki Okamoto; Tatsuo Aral; Katsumi Tokumaru


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
569 KB
Volume
229
Category
Article
ISSN
0009-2614

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Cover Picture: QM/MM Car-Parrinello Mole
✍ Ute F. Röhrig; Irmgard Frank; Jürg Hutter; Alessandro Laio; Joost VandeVondele; 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 23 KB

## 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