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Catalysis of the thermal cis–trans isomerization of stilbazolium betaine M by ferricyanide

✍ Scribed by Alexander V Pastukhov; Pavel Yu Litvinov; Anatolii P Sadkov


Book ID
119215242
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
175 KB
Volume
5
Category
Article
ISSN
1566-7367

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The effect of protonation on the thermal
✍ Paul Tavan; Klaus Schulten 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 458 KB

## MNDOC calculations have been carried out on the protonated and unprotonatcd forms of a stilbazolium betaine. The results show (1) a strong increase by 24 kcal/mol of the torsional barrier around the central bond upon protonstion, (2) polar structures for the protonatcd as well as the unprotonat