Abstract:A computational study of the reaction mechanism of aryl propiolates with various radicals is examined employing DFT and coupled-cluster methods at the DLPNO-CCSD(T)/cc-pVTZ//M062X-6-311G(d,p) level. Computations demonstrated that the reaction mechanism...
The highly strained bicyclo[1.1.0]butanes (BCBs) have exhibited excellent synthetic value and attracted increasing attention in the field of organic synthesis. Whereas the mechanism of the activation of such material under...
The highly strained bicyclo[1.1.0]butanes (BCBs) have exhibited excellent synthetic value and attracted increasing attention in the field of organic synthesis. Whereas the mechanism of the activation of such material under...
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