Alcohols, ethers, carbohydrates, and rel
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Jenn-Huei Lii; Kuo-Hsiang Chen; Norman L. Allinger
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Article
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2003
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John Wiley and Sons
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English
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## Abstract __Ab initio__ calculations [B3LYP/6โ311++G(2d,2p)] have been carried out on 84 conformations of 12 different sugars (hexoses), in both pyranose and furanose forms, with the idea of generating a data base for carbohydrate structural energies that may be used for developing the predictive