In two studies, involving two different dye material systems, Materials Science and Engineering and qDNA Research Group doctoral students Austin Biaggne and German Barcenas and their faculty co-authors used theoretical approaches to predict the effects of dye structure changes on solvation energy and electronic properties. Theoretical methods based on quantum mechanics can be used to determine the effects of structural changes in molecules on their physiochemical properties.
To learn more about the students’ research, visit: https://www.boisestate.edu/nano/2021/06/15/altering-dye-functional-groups-to-obtain-desirable-dye-structure-property-relationships-predictions-based-on-theoretical-approaches/