Ab initio LCAO-MO calculations on α-D-glucopyranose, β-D-fructopyranose, and their thiopyranoid-ring analogues. Application to a theory of sweetness
Abstract
Ab initio SCF LCAO-MO calculations at the STO-3G level have been performed on the title compounds and the results are discussed in terms of net atomic charges and Mulliken population analysis, with a view to providing an explanation for the greater sweetness observed in the case of the thio analogues.