No title
Previous experimental studies of pyrrole pyrolysis reported numerous hydrocarbon and nitrogen-containing products from HCN up to pyridine and dinitriles. To develop a consistent detailed kinetic mechanism for pyrrole, the rate constants of H atom abstraction from C4H5N by NH2, and CH2CN radicals have been calculated at the DLPNO-CCSD(T)-F12/cc-pVDZ-F12//M06–2X/def2-TZVP level of theory while H ato
