Joint experimental and theoretical study of vibrationally inelastic electron scattering on propane

Vibrational electron energy loss spectra were measured for propane at incident energies of 3, 6, 10, 15, 20, and 25 eV at scattering angles of 40 degrees, 55 degrees, 70 degrees, 85 degrees, and 100 degrees . The spectra are compared with the results of ab initio calculations using a recently develo...

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Bibliographic Details
Published in:The Journal of chemical physics 2004-12, Vol.121 (21), p.10551-10555
Main Authors: Popović, Duska B, David, Donald E, Michl, Josef, Curík, Roman, Cársky, Petr
Format: Article
Language:English
Subjects:
Computer Simulation
Electrons
Energy Transfer
Models, Chemical
Models, Molecular
Propane - chemistry
Scattering, Radiation
Vibration
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Summary:Vibrational electron energy loss spectra were measured for propane at incident energies of 3, 6, 10, 15, 20, and 25 eV at scattering angles of 40 degrees, 55 degrees, 70 degrees, 85 degrees, and 100 degrees . The spectra are compared with the results of ab initio calculations using a recently developed two-channel discrete momentum representation method. Good agreement between theory and experiment was found for large scattering angles and energies above the resonant region.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1807372