Computational Modeling of Ligands for Water Purification Nanocoatings
Vanka K., Houndonougbo Y., Lien N.R., Harris J.M., Farmen L.M., Johnson D.W., Laird B.B., Thompson W.H., University of Kansas, US
Electronic structure and molecular dynamics calculations are being used to investigate ligand-based nanocoatings for use in drinking water purification applications. The aim is to use computational chemistry to aid in the development of design principles [...]