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Unfortunately, in a previous paper of ours (ref 15, Table 1) formonitrile oxide was given incorrect values of ZPE, δH, S, δG, and in particular, a definitely lower value for the standard entropy (41.81 instead of 53.26 eu). There we concluded that for formonitrile oxide cycloadditions "the calculated absolute value of the negative activation entropy is probably significantly underestimated (by, at least, 10 eu) with respect to the experimental values ...". Now, we observe that the disagreement between theory and experiment disappears when the correct values are used.
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We showed in ref 11 that the complete charge-transfer term between MVEsyn and DZM, at variance with the simple frontier interaction, points to a mixture of adducts
-
We showed in ref 11 that the complete charge-transfer term between MVEsyn and DZM, at variance with the simple frontier interaction, points to a mixture of adducts.
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