Michelle Dvores


Ph.D. Student

I am studying saccharides with emphases on:

     1) The gas phase reaction dynamics of sugars and protons with and without water, using a molecular dynamics approach.

     2) Providing computational details for the interpretation of experimental gas phase vibrational spectra of sugars, in various states of ionization and hydration, with complementary usage of  the vibrational self-consistent field (VSCF) method and DFT-D molecular dynamics.

This study seeks to identify the critical structural motifs of sugar conformers that determine the yield and selectivity of the hydrolysis of sugars in the gas phase.