Unravelling the nature of glyphosate binding to goethite surfaces byab initiomolecular dynamics simulations (2018)

Ahmed A., Leinweber P., Kühn O.

Physical Chemistry Chemical Physics, 20 (3), 1531-1539



Possible binding motifs and reaction mechanisms between the most widely used herbicide “glyphosate” and three goethite surface planes have been investigatedviaperiodic DFT-based molecular dynamics simulations.