Kinetics theoretical study of the O(3P) + C2H6 reaction on an ab initio-based global potential energy surface
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DOI: 10.1007/s00214-020-02695-9
Abstract: Based on a recently developed analytical full-dimensional potential energy surface describing the gas-phase O(3P) + C2H6 reaction (Espinosa-Garcia et al. in Phys Chem Chem Phys 22:22,591, 2020), thermal rate constants and kinetic isotope effects (KIEs) were studied… read more here.
Keywords: potential energy; energy surface; energy; reaction ... See more keywords