Computational Studies and Experimental Results—An Example of Excellent Teamwork in Studying Carbocyclization


  • We thank Prof. Uwe Rosenthal for his continuing support, helpful discussions, and insightful comments. M.H. thanks the DFG (HA3511/3-1) and the Leibniz-Gemeinschaft for financial support. I.T. thanks the Fonds der Chemischen Industrie for a Kekulé Fellowship.


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In silico veritas? Maybe not the whole truth, but very helpful suggestions and guidelines for the experimental work can be deduced from computational studies on Rh-catalyzed [3+2+1] cycloaddition reactions for the construction of cis-fused bicyclohexenones from alkylidenecyclopropanes and carbon monoxide.