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physics.chem-ph2001★ 40 cited
Ten-dimensional wave packet simulations of methane scattering
R. Milot, A. P. J. Jansen
We present results of wavepacket simulations of scattering of an oriented methane molecule from a flat surface including all nine internal vibrations. At a translational energy up…
physics.chem-ph2000★ 53 cited
Bond breaking in vibrationally excited methane on transition metal catalysts
R. Milot, A. P. J. Jansen
The role of vibrational excitation of a single mode in the scattering of methane is studied by wave packet simulations of oriented CH4 and CD4 molecules from a flat surface. All ni…
physics.chem-ph2000★ 19 cited
Energy distribution analysis of the wavepacket simulations of CH4 and CD4 scattering
R. Milot, A. P. J. Jansen
The isotope effect in the scattering of methane is studied by wavepacket simulations of oriented CH4 and CD4 molecules from a flat surface including all nine internal vibrations. A…