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Modéliser les interactions moléculaires par la théorie des réseaux de jeux

✍ Scribed by Matthieu Manceny; Chafika Chettaoui; Michel Malo; Georgia Barlovatz-Meimon; Franck Delaplace


Book ID
116391648
Publisher
Elsevier Science
Year
2006
Tongue
French
Weight
185 KB
Volume
329
Category
Article
ISSN
1631-0691

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Etude par la modélisation moléculaire de
✍ F. Grosjean; M. Huché; M. Larchevêque; J.J. Legendre; Y. Petit 📂 Article 📅 1994 🏛 Elsevier Science 🌐 French ⚖ 787 KB

A model for glycidic acids opening reaction by ammonia and amines has been suggested from semi-empiric orbital calculations. It provides a way for evaluating the different interactions between the incoming nucleophile and the oxirane substituents. Steric and coulombic interactions of the carboxylate