The isotope effect of H+CH4→H2+CH3 reaction on JG PES was studied using the SVRT model. Using a recently developed generalized SVRT (GSVRT) model, it was shown that the result of calculation for H+CH4 using the basic SVRT model (4D) is generally accurate. Results were confirmed by a very recent calculation for H+CH4 using a more elaborate 7D model.
|Original language||English (US)|
|Number of pages||6|
|Journal||Journal of Chemical Physics|
|State||Published - May 22 2003|
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry