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To better understand how and to what extent the halosubstituted carbene radical anions effect the chlorine abstraction of CHCl3, a detailed theoretical investigation has been performed at the UMP2/6-311+ +G (d, p)/RECP level of theory. The model system CHCl3 + CHX· − /CX (X = Cl, Br, and I) has been chosen for the present study. According to the detailed discussions of geometries...
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