Ab initio characterization of the (0001) and (101̄0) crystal faces of α-alumina
- 1 May 1989
- journal article
- Published by Elsevier in Surface Science
- Vol. 215 (1-2) , 259-271
- https://doi.org/10.1016/0039-6028(89)90713-9
Abstract
No abstract availableKeywords
This publication has 11 references indexed in Scilit:
- IR study of CO adsorption on α-Cr2O3Surface Science, 1988
- A periodic ab initio Hartree-Fock calculation on corundumChemical Physics Letters, 1987
- Low temperature CO adsorption on alum-derived active alumina: An infrared investigationJournal of Catalysis, 1987
- The electronic structure of α-quartz: A periodic Hartree–Fock calculationThe Journal of Chemical Physics, 1987
- Hartree-fock ab-initio characterization of ionic crystal surfaces with a slab model. The (0001) face of α-Al2O3Progress in Surface Science, 1987
- Infrared spectroscopic characterization of the α-alumina surfaceJournal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, 1976
- The electronic structures of Mg, Al and Si in octahedral coordination with oxygen from SCF Xα MO calculationsJournal of Physics and Chemistry of Solids, 1975
- Self-Consistent Molecular Orbital Methods. IV. Use of Gaussian Expansions of Slater-Type Orbitals. Extension to Second-Row MoleculesThe Journal of Chemical Physics, 1970
- Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic OrbitalsThe Journal of Chemical Physics, 1969
- Catalytic aluminas II. Catalytic properties of eta and gamma aluminaJournal of Catalysis, 1964