Mathematics – Probability
Scientific paper
Mar 2000
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2000cpl...319..303f&link_type=abstract
Chem. Phys. Lett., Vol. 319, No. 3 - 4, p. 303 - 308
Mathematics
Probability
50
Molecular Hydrogen: Interstellar Molecules
Scientific paper
The associative desorption of hydrogen atoms on graphite via an Eley-Rideal mechanism is studied theoretically. Time-independent quantum reactive scattering calculations are performed on a potential energy surface calculated using the generalised gradient approximation of density functional theory. The absence of a barrier to reaction leads to a reaction probability which is close to one, even for low collision energies. The vibrational product distribution of H2 shows a peak in the (υ = 2) vibrational state with appreciable population of higher states. The significance of these results for chemistry in the interstellar medium is discussed.
Clary David C.
Farebrother A. J.
Fisher Andrew J.
Meijer J. H. M. A.
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