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ChemInform Abstract: Spectroscopic and Photochemical Study of Inclusion Complexes of Dimethoxybenzenes with Cyclodextrins

✍ Scribed by G. GRABNER; S. MONTI; G. MARCONI; B. MAYER; C. KLEIN; G. KOEHLER

Publisher: John Wiley and Sons
Year: 2010
Weight: 28 KB
Volume: 28
Category: Article
ISSN: 0931-7597
DOI: 10.1002/chin.199716036

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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