Aminolysis and hydrolysis of an organophosphorus pesticide: A theoretical insight into the reaction mechanism for thio methyl parathion
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DOI: 10.1016/j.comptc.2021.113348
Abstract: Abstract A systematic investigation of the aminolysis and hydrolysis mechanisms for organophosphorus pesticides was performed by using the B3LYP/6–311++G(d,p), M06-2X/6–311++G(d,p) and MP2/6-311G(d,p) methods. Three plausible reaction routes, the P O, P S, P O R… read more here.
Keywords: hydrolysis; aminolysis hydrolysis; reaction; aminolysis ... See more keywords