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Ring-Enlargement Reactions of Donor−Acceptor-Substituted Cyclopropanes: Which Combinations are Most Efficient?

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journal contribution
posted on 01.04.2011, 00:00 by Tobias F. Schneider, Daniel B. Werz
A detailed theoretical study of ring-enlargement reactions of 72 differently substituted donor−acceptor-substituted cyclopropanes is presented. Transition states, activation barriers, and, for representative examples, the behavior in solution were additionally determined using the B3LYP/6-311G(d) level of theory.