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The alkaline hydrolysis reaction of ethylene phosphate (EP) has been investigated using a supermolecule model, in which several explicit water molecules are included. The structures and single‐point energies for all of the stationary points are calculated in the gas phase and in solution at the B3LYP/6‐31++G(df,p) and MP2/6‐311++G(df,2p) levels. The effect of water bulk solvent is introduced by the...
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