Hensley et al. 1991
Hensley, J.M., S. Green, and G.W. Flynn, 1991: A simple ab initio calculation for energy transfer in collisions of hot hydrogen atoms with carbon dioxide. Chem. Phys. Lett., 177, 508-516, doi:10.1016/0009-2614(91)90076-L.
Cross sections for excitation of the CO2 eta3 asymmetric stretch vibration in collisions with 2.1 eV hydrogen atoms have been calculated within the vibrational close coupling rotational infinite order sudden (VCC-IOS) approximation. The intermolecular potential was assumed to be a pairwise additive atom-atom exponential repulsion with parameters fitted to theoretical SCF points. Predicted final rotational state distributions agree reasonable well with experimental data, as well as with predictions of a recently proposed breathing ellipsoid model. Predicted vibrational excitation rates, however, are one to two order of magnitude too small, a failure which is attributed to the inability of a pairwise additive form to reproduce accurately the vibrational dependence of the potential.
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Hensley, J.M., Green, S., and Flynn, G.W.: A simple ab initio calculation for energy transfer in collisions of hot hydrogen atoms with carbon dioxide, Chem. Phys. Lett., 177, 508-516, doi:10.1016/0009-2614(91)90076-L, 1991.
Hensley, J.M., S. Green, and G.W. Flynn (1991), A simple ab initio calculation for energy transfer in collisions of hot hydrogen atoms with carbon dioxide, Chem. Phys. Lett., 177, 508-516, doi:10.1016/0009-2614(91)90076-L.
Hensley, J.M., S. Green, and G.W. Flynn, 1991: A simple ab initio calculation for energy transfer in collisions of hot hydrogen atoms with carbon dioxide. Chem. Phys. Lett., 177, 508-516, doi:10.1016/0009-2614(91)90076-L.
Hensley, J.M., Green, S., & Flynn, G.W. 1991, Chem. Phys. Lett., 177, 508, doi:10.1016/0009-2614(91)90076-L.
Hensley JM, Green S, Flynn GW. A simple ab initio calculation for energy transfer in collisions of hot hydrogen atoms with carbon dioxide, Chem Phys Lett 1991;177:508-516. doi:10.1016/0009-2614(91)90076-L.
J.M. Hensley, S. Green, G.W. Flynn, Chem. Phys. Lett. 177, 508-516, doi:10.1016/0009-2614(91)90076-L (1991).
