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Accession Number:
ADA010540
Title:
SCF-X Alpha-SW Calculation of Electronic Energy Levels for Methanol Adsorbed on Alumina.
Corporate Author:
TEXAS UNIV AT AUSTIN DEPT OF CHEMISTRY
Report Date:
1975-05-26
Abstract:
The calculation of vertical ionization potentials is reported for methanol, Al2O3, and a model CH3O - Al2O3 system representing the surface adsorbate-substrate complex. The SCF-X alpha-SW technique was employed, and the orbital energies were obtained by means of the transition state method. The feasibility of using such calculations in the interpretation of UPS spectra for the methanol-alumina system is also discussed.
Descriptive Note:
Technical rept. 1 May 74-30 Apr 75,
Pages:
0015
Contract Number:
N00014-67-A-0126-0021
File Size:
0.00MB
