Solvent effects on glyphosate deprotonation: DFT theoretical studies

To better understand the molecular structures of glyphosate in different solvents, we have studied several possible conformations, and their relative abundances, of glyphosate and its deprotonated forms, in acetone, acetonitrile, DMSO, water, ethanol, carbon tetrachloride, dichloromethane and gas ph...

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Bibliographic Details
Main Authors: Alberto G. Albesa, María Estefanía Farías Hermosilla
Format: Article
Language:English
Published: Elsevier 2023-06-01
Series:Chemical Physics Impact
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022422000780