1997
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Abstract: Recent density functionals and a variety of basis sets were employed in the study of three electronic states of the succinimidyl radical in C 2v symmetry:  2 A 1 (σN), 2 B 1 (πN), and 2 B 2 (σO). The lowest energy σO state is a genuine (local) minimum, as demonstrated by the harmonic vibrational analysis; the stationary points corresponding to the two remaining states are higher-order saddle points on the potential energy surface. Similar results were obtained with the Møller−Plesset method, w… Show more

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