Collect. Czech. Chem. Commun.
1979, 44, 3452-3457
https://doi.org/10.1135/cccc19793452
Quantum mechanical tunnelling in the processes D + H2 → DH + H and CH4 + H → CH3 + H2. Eckart's tunnelling corrections for rate constants given by ab initio calculations
Petr Čársky
J. Heyrovský Institute of Physical Chemistry and Electrochemistry, Czechoslovak Academy of Sciences, 121 38 Prague 2
Crossref Cited-by Linking
- Sana Michel, Leroy Georges, Villaveces Jos� Luis: Theoretical study of hydrogen abstraction reactions CH4 + R ? CH3 + HR, geometrical, energetical and kinetical aspects. Theoret. Chim. Acta 1984, 65, 109. <https://doi.org/10.1007/BF01064207>
- Schatz George C., Walch Stephen P., Wagner Albert F.: A b i n i t i o calculation of transition state normal mode properties and rate constants for the H(T)+CH4(CD4) abstraction and exchange reactions. The Journal of Chemical Physics 1980, 73, 4536. <https://doi.org/10.1063/1.440692>
