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From Electronic Structure to Environmental Remediation: Adsorption of Ionized Glyphosate on COOH-Modified Carbon Nanotube
Glyphosate is a widely used herbicide whose persistence and toxicity in aquatic and terrestrial environments demand efficient removal strategies. Here we employ GFN2 xTB calculations with implicit ALPB aqueous solvation and automated docking to investigate the adsorption of all five pH dependent ion
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