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The acetotoluides as models for studying cyclodextrin inclusion complexes

✍ Scribed by Jones, S.P.; Parr, G.D.


Book ID
122090532
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
749 KB
Volume
36
Category
Article
ISSN
0378-5173

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We investigated the inclusion process of Lamotrigine (LMN) in beta cyclodextrin (Ξ²-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