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. 2016 Dec 28;23(1):13. doi: 10.1007/s00894-016-3185-8

Fig. 3.

Fig. 3

Views of the TSs that occur during the cycloaddition between 1,1-dinitroethene (7) and benzonitrile N-oxide (2d) in toluene, as derived via B3LYP/6-31G(d) (PCM) calculations