The Application of Molecular Orbital Calculations to Wood Chemistry. II. The Protonation of Beta-Methyl Glucopyranoside
Keywords:Beta-methyl glucopyranoside, molecular orbital calculations, protonation
AbstractThe protonation step in the acid hydrolysis reaction of beta-methyl glucopyranoside was studied by molecular orbital techniques. The semi-empirical, self-consistent fields method of modified neglect of diatomic overlap (MNDO) was used to calculate energetic and electronic information in an attempt to determine the site of initial protonation.
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