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Theoretical studies of substituent effects on stationary structures of amidine decomposition

✍ Scribed by Andr�s, Juan; Krechl, Jir�; Silla, Estanislao

Book ID
120557519
Publisher
Royal Society of Chemistry
Year
1991
Tongue
English
Weight
484 KB
Volume
4
Category
Article
ISSN
1472-779X

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📜 SIMILAR VOLUMES

Theoretical study of stationary structur
Theoretical study of stationary structures of acetamidine unimolecular decomposition
✍ Juan Andrés; Jirí Krechl; Estanislao Silla 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 328 KB

The unimolecular decomposition of acetamidine to ammonia and acetoninile was examined by ab initio methods. Stationary points, i.e. the reactant, product and transition structures, have been characterized. The process has an asynchronous mechanism, the transition state being described as a four-memb