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s attack.
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However, it can be considered that the common procedure of carrying out single-point energy calculations actually probes in an arbitrary way the higher-level energy hypersurface. Therefore, it seems to be reasonable to contemplate the possibility that the transition structure on the MK-MP2 surface might simply be earlier in a geometrical sense: in this case, the probing performed by using the geometries determined at a lower theoretical level would occur in a zone of descent on the higher-level surface, i.e., beyond the MR-MP2 first-order saddle point.
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46
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