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Molecular Complexation: β-Cyclodextrin and Benzaldehyde Inclusion Complex

✍ Scribed by Hee-Sook Choi; Adelbert M. Knevel; Ching-jer Chang


Book ID
110343098
Publisher
Springer US
Year
1992
Tongue
English
Weight
508 KB
Volume
09
Category
Article
ISSN
0724-8741

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Molecular modeling study of Lamotrigine/
✍ Lynda Seridi; Ahmed Boufelfel 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 871 KB

We investigated the inclusion process of Lamotrigine (LMN) in beta cyclodextrin (β-CD) with 1:1 stoichiometry using empirical, semi-empirical and quantum mechanical calculations models. We have found that the quantum and hybrid ONIOM2 methods gave the most favorable orientation in which the guest mo