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A theoretical study on the inclusion complexation of doxycycline with Crysmeb

✍ Scribed by Soraya Benghodbane; Djameleddine Khatmi

Book ID
116389547
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
948 KB
Volume
15
Category
Article
ISSN
1631-0748

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## Abstract PM3 and B3LYP/3–21g\* calculations were performed on cucurbit[7]uril and its complex with protonated 2, 6‐bis (4, 5‐dihydro‐1 __H__‐imidazot‐2‐yl) naphthalene. The results agreed well with the experimental observations. It indicated that in addition to van der Waals interaction and hydr