Quantum mechanical angular distributions for the F+ H2 reaction

JF Castillo, DE Manolopoulos, K Stark… - The Journal of chemical …, 1996 - pubs.aip.org
Quantum mechanical integral and differential cross sections have been calculated for the
title reaction at the three collision energies studied in the 1985 molecular beam experiment
of Lee and co-workers, using the new ab initio potential energy surface of Stark and Werner
preceding paper. Although the overall agreement between the calculated and experimental
center-of-mass frame angular distributions is satisfactory, there are still some noticeable
differences. In particular, the forward scattering of HF (v 3) is more pronounced in the …

Quantum mechanical angular distributions for the F+ HD reaction

JF Castillo, DE Manolopoulos - Faraday Discussions, 1998 - pubs.rsc.org
Quantum-mechanical integral and differential cross-sections have been calculated for the
title reaction at the two collision energies (Ecoll= 1.35 and 1.98 kcal mol-1) studied in the
1985 molecular beam experiment of Lee and co-workers, using the new abinitio potential-
energy surface of Stark and Werner. The DF+ H product channel is found to behave
essentially classically: the present quantum-mechanical angular distributions for this
channel are in good agreement with both the earlier quasi-classical trajectory results of Aoiz …
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