Abstract
A state-of-the-art 5D quantum mechanical (QM) and quasiclassical trajectory (QCT) scattering calculations for the title reaction using the YZCL2 potential energy surface (PES) is presented. Calculated absolute cross sections and OH rotational distributions are compared with new experimental results obtained at a mean collision energy of 2.46 eV. Although the new theoretical and experimental data agree better than previous studies, there remains a factor of 2 discrepancy in the abstraction reaction cross section.
Original language | English |
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Pages (from-to) | 093201/1-093201/4 |
Journal | Physical Review Letters |
Volume | 90 |
Issue number | 9 |
Publication status | Published - 7 Mar 2003 |