Quantum dissociation dynamics of H[sub 2] and D[sub 2] on a Ni[sub 13] cluster

Alvarez, Yazmin L.; Lopez, Gustavo E.; Cruz, Astrid J.
August 1997
Journal of Chemical Physics;8/1/1997, Vol. 107 Issue 5, p1420
Academic Journal
Investigates the quantum dissociation dynamics of hydrogen on a rigid nickel cluster using a quantum mechanical model. Basis of the model on the spectral grid/fast Fourier transform technique; Inclusion of three variables which are treated quantum mechanically; Factors influencing the remaining three variables fixed during simulations.


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