1970
DOI: 10.1063/1.1673216
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ESR Study of the Kinetic Isotope Effect in the Reaction of H and D Atoms with CH4

Abstract: Articles you may be interested inCommunication: Full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH4 → CH3 + H2O Rate coefficients and kinetic isotope effects of the X + CH4 → CH3 + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics J. Chem. Phys. 138, 094307 (2013); 10.1063/1.4793394 Erratum: Kinetic isotope effects in the reaction of fluorine atoms with molecular hydrogen. I. H2/D2 kinetic isotope effect E… Show more

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Cited by 92 publications
(73 citation statements)
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“…5, the comparison for the D + CH 4 rate coefficients is shown in the Arrhenius plot. The experimental data from Kurylo et al 3 are again significantly larger than all theoretical ones, which might stem from the same problem with the secondary reactions as discussed above. To our best knowledge, there has not been any more recent work on this reaction.…”
Section: Resultsmentioning
confidence: 51%
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“…5, the comparison for the D + CH 4 rate coefficients is shown in the Arrhenius plot. The experimental data from Kurylo et al 3 are again significantly larger than all theoretical ones, which might stem from the same problem with the secondary reactions as discussed above. To our best knowledge, there has not been any more recent work on this reaction.…”
Section: Resultsmentioning
confidence: 51%
“…To our best knowledge, there has not been any more recent work on this reaction. Given the much smaller rate coefficients recommended by Baulch et al 8 and by Sutherland et al 6 for the H + CH 4 reaction, it is likely that the rate coefficient in the study of Kurylo et al 3 were also overestimated for the D + CH 4 reaction. 29 In other words, we believe that the theoretical rate coefficients are probably more accurate than their experimental counterparts.…”
Section: Resultsmentioning
confidence: 80%
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