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Experimental Thermodynamics and Molecular Mechanics Calculations of Inclusion Complexes of 9-Methyl Anthracenoate and 1-Methyl Pyrenoate with β-Cyclodextrin

✍ Scribed by Madrid, Jose Manuel; Villafruela, Marisol; Serrano, Roberto; Mendicuti, Francisco


Book ID
127023468
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
252 KB
Volume
103
Category
Article
ISSN
0022-3654

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Molecular Mechanics Study of the Inclusi
✍ Jose Manuel Madrid; Javier Pozuelo; Francisco Mendicuti; Wayne L. Mattice 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 308 KB

Molecular mechanics calculations were employed to study the inclusion of 2-methyl naphthoate in alpha- and beta-cyclodextrin in vacuo and in the presence of water as a solvent. The driving forces for complexation are dominated by nonbonded van der Waals host:guest interactions in both environments.