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Journal articles
S((1)D) + ortho-D2 Reaction Dynamics at Low Collision Energies: Complementary Crossed Molecular Beam Experiments and Theoretical Investigations
Abstract : The excitation function of the S((1)D) + D2 reaction was determined in a crossed molecular beam apparatus for collision energies ranging from 1817 to 47 J mol(-1) in the near-cold regime. A very good overall agreement was found between experimental data and the theoretical results obtained using the ab initio potential energy surface built by Ho and coworkers and different methods: time-independent quantum dynamics (QM), semiclassical mean potential capture theory (sc-MPCT), and quasi-classical trajectories (QCT). The general trend of the experimental excitation function is well reproduced in most of the range by a simple capture calculation with an R(-6) dispersion potential. The present results are discussed in the light of previous studies on the isotopic variants S((1)D) + H2 and HD
Keywords :
Cold and ultra-cold collisions
Quantum dynamics
https://hal-univ-rennes1.archives-ouvertes.fr/hal-01301350
Contributor : Laurent Jonchère Connect in order to contact the contributor
Submitted on : Tuesday, April 12, 2016 - 10:39:00 AM
Last modification on : Tuesday, January 12, 2021 - 4:43:13 PM
Contributor : Laurent Jonchère Connect in order to contact the contributor
Submitted on : Tuesday, April 12, 2016 - 10:39:00 AM
Last modification on : Tuesday, January 12, 2021 - 4:43:13 PM