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Lowest energy structures and electrostatic potential energy surfaces for esters of dimethylphosphate substituted with sulfur or CH3 at a nonbridging oxygen. (A) dimethyl ester of phosphate, (B) dimethyl ester of thiophosphate, (C) dimethyl ester of methylphosphonate. Geometries and electrostatic potentials were calculated using Spartan04 using DFT/B3LYP/6-31G*.
