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Diels–Alder Reactions of Allene with Benzene and Butadiene: Concerted, Stepwise, and Ambimodal Transition States

[Image: see text] Multiconfigurational complete active space methods (CASSCF and CASPT2) have been used to investigate the (4 + 2) cycloadditions of allene with butadiene and with benzene. Both concerted and stepwise radical pathways were examined to determine the mechanism of the Diels–Alder reacti...

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Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Pham, Hung V., Houk, K. N.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: American Chemical Society 2014
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC4184448/
https://ncbi.nlm.nih.gov/pubmed/25216056
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jo502041f
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