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The cycloaddition reactions between ketenimine and olefin have been studied theoretically. For the model reaction (H2CCNH+H2CCH2), the stationary points are located by HF/6-31G, MP2/6-31G∗ and B3LYP/6-31++G∗∗. The topological analysis shows that both transition states are open-ring structures, i.e. only one bond to be formed has bond critical point. For the reaction of H2CCNH with (CF2)3CCF2, the...
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