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  • Is CH3NC isomerization an intrinsic non-RRKM unimolecular reaction 
    Jayee, Bhumika; MALPATHAK, SHREYAS; Ma, Xinyou; Hase, William L. (AIP Publishing, 2019-11)
    Direct dynamics simulations, using B3LYP/6-311++G(2d,2p) theory, were used to study the unimolecular and intramolecular dynamics of vibrationally excited CH3NC. Microcanonical ensembles of CH3NC, excited with 150, 120, and ...