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The stationary points characterizing the potential energy profiles of the complex process of the M + (M=Li, Na, K) and CF 3 were investigated by B3LYP in conjunction with the 6-311+G(2d,2p) basis set. The optimized geometries, chemical bonding and NBO analysis indicate that the complexes of M + (M=Li, Na, K) and CF 3 exist as ion–dipole molecules. The calculated affinity...
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