We carry out computations on a variety of reactions involving carbenes. Here are some papers on "free" carbenes:

Hare, S.; Orman, M.; Dewan, F.; Dalchand, E.; Buzard, C.; Ahmed, S.; Tolentino, J. C.; Sethi, U.; Terlizzi, K.; Houferak, C.; Stein, A. M.; Stedronsky, A.; Thamattoor, D. M.; Tantillo, D. J.; Merrer, D. C. J. Org. Chem. 2015,80, 5049-5065: "Experimental and Computational Mechanistic Investigation of Chlorocarbene Additions to Bridgehead Carbene-anti-Bredt Systems: Noradamantylcarbene-Adamantene and Adamantylcarbene-Homoadamantene"

Wang, Q.; Shih, J.-L.; Tsui, K. T.; Laconsay, C. J.; Tantillo, D. J.; May, J. A. J. Org. Chem. 2022, 87, 8983-9000: "Experimental and Computational Mechanistic Study of Carbonazidate-Initiated Cascade Reactions"


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