Journal
ORGANIC LETTERS
Volume 13, Issue 7, Pages 1848-1851Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ol200355f
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- Deutsche Forschungsgemeinschaft
- Fonds der Chemischen Industrie
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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.
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