Two new analytical potential energy surfaces (QC and WSLFH) for H3O were characterized by calculating cross sections and rate constants for OH+H2, some isotopomers, and the reverse reaction. This extensive application was made possible by considering approximate procedures, namely, the QCT and VTST methods. The calculations show that the QC and WSLFH surfaces give almost identical cross sections for OH+H2.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry