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Theoretical investigation of inclusion complexes of β-cyclodextrin with alcohols

✍ Scribed by István Lukovits

Book ID
119116988
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
469 KB
Volume
170
Category
Article
ISSN
0166-1280

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Theoretical studies of inclusion complex
Theoretical studies of inclusion complexes of β-cyclodextrin with methylated benzoic acids
✍ Ming-Ju Huang; John D. Watts; Nicholas Bodor 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 175 KB 👁 1 views

AM1 semiempirical molecular orbital calculations have been performed Ž . on the inclusion complexes of ␤-cyclodextrin ␤-CD with methylated benzoic acids in two orientations, the ''head-first'' and ''tail-first'' positions. In the former, the CO H 2 group points toward the primary hydroxyls of the CD