Qiaocui Shi, R. Sun, Xiang-wei Cheng
Aug 10, 2010
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Journal
Journal of Molecular Structure
Abstract
Abstract The solvent effect on the reactions of 3,5-di- O - p -toluoyl- d -2-deoxyribosyl chloride with alcohols has been studied with the help of density functional theory (DFT) method using the polarized continuum model (PCM). Moreover, the calculation allows a discussion of the solvent effect on the ratio of α- to β-anomer to compare with the experimental result. The results obtained by the present calculations are in excellent agreement with the experimental findings.