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.
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry