Study on the Structure, Frequency Mode, and Dielectric Properties of Glycolic Acid in the Physiological Salt Solution by Molecular Dynamics

A molecular dynamics (MD) research on glycolic acid in physiological salt solution, which is a model of a biofuel cell, was carried out. Gaussian09 uses density functional theory to optimise the structure and charge distribution of glycolic acid in aqueous solution used in MD. The number of particles, strain, and temperature of the MD cell…
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March 11, 2021 0