The normal co-ordinate calculations of anomers of the methyl-d-glucopyranoside and methyl-β-d-xylopyranoside have been performed.
The theoretical spectra have been obtained after a tedious refinement of the force constants.
The obtained mUBSFFs of the three molecules are defined in this work as satisfactory indeed, since they reproduce the vibrational spectra.
It has been observed that PEDs of all the fundamental vibrations are satisfactory and confirm the present assignments.
The transferability of these obtained force fields to the isotopic derivatives confirms their validity.