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Use of Quantum Chemical Methods to Study Cyclodextrin Chemistry

✍ Scribed by Lei Liu; Qing-Xiang Guo


Publisher
John Wiley and Sons
Year
2005
Weight
8 KB
Volume
36
Category
Article
ISSN
0931-7597

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## Abstract Oο£ΏH bond dissociation enthalpies (BDE) for a variety of substituted phenols were calculated using a combined quantum chemical method. It is found that the calculated Oο£ΏH BDE correlated well with the recommended values, except for __ortho‐tert‐__butyl substituted phenols. For the electro