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Theoretical Studies of the Electrocyclic Reaction Mechanisms of o -Xylylene to Benzocyclobutene

✍ Scribed by Sakai, Shogo


Book ID
126805902
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
167 KB
Volume
104
Category
Article
ISSN
1089-5639

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Theoretical study of the O + HSO reactio
✍ M. Y. Ballester; A. J. C. Varandas πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 199 KB

## Abstract A quasi‐classical trajectory study of the title reaction is reported using a global, double, many‐body expansion potential energy surface for HSO~2~. Calculations are presented for specific translational energies and rovibrational states of the reactants, showing that formations of H +