Coriolis coupling effects on energy transfer: classical-trajectories analysis for C[O.sub.2] + Ar collisions.(Report)

Canadian Journal of Chemistry | November 1, 2007| | Copyright

Abstract: Energy transfer on C[O.sub.2] + Ar collisions is studied by performing classical-trajectories simulations in a nonrigid potential-energy surface. Partition of molecular kinetic energy into vibration, rotation, and Coriolis coupling is made in a Cartesian coordinates system, coupled to vibrational normal modes. Initial atomic translational energies are selected from a range of 0.004-0.4 au, and initial molecular rotational states are fixed at rotational quantum numbers j, equal to 1, 20, 40, and 60. Effects of these different initial conditions are investigated, and ...

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