We present the development of a computational exercise for the physical chemistry curriculum involving the calculation of charge densities on the atoms in several solvatochromic dyes and solvents. This project gives undergraduate students experience with computational chemistry. It also deepens their knowledge on topics such as dipole moments, solute-solvent interactions, and solvatochromism.

Calculating charge densities for solvatochromic dyes: A computational chemistry project for the physical chemistry curriculum

253rd National Meeting (2017)

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