A quantum-chemical study of the chemisorption of ammonia, pyridine, formaldehyde, formate, and methoxy on ZnO(0001)
- 31 December 1988
- journal article
- Published by Elsevier in Surface Science
- Vol. 194 (3) , 457-504
- https://doi.org/10.1016/0039-6028(88)90865-5
Abstract
No abstract availableKeywords
This publication has 75 references indexed in Scilit:
- Hydrogen on zinc oxide. Theory of its heterolytic adsorptionJournal of the American Chemical Society, 1986
- New analysis of lone-pair binding-energy shifts in photoemission from adsorbed molecules: CO andon Cu(100)Physical Review B, 1986
- Mechanism for propylene oxidation to acrolein on Bi2Mo3O12: A quantum chemical studyJournal of Catalysis, 1985
- Photoelectron study of the interaction of carbon monoxide with zinc oxideJournal of the American Chemical Society, 1980
- Electronic surface and bulk transitions on clean ZnO surfaces studied by electron energy-loss spectroscopyPhysical Review B, 1977
- Cluster calculation of carbon monoxide on a Cu surface using the self-consistent-field--scattered-wave methodPhysical Review B, 1977
- Molecular properties of excited electronic states: The ã 3A″ and à 1A″ states of formaldehydeThe Journal of Chemical Physics, 1974
- Geometries of the methoxy radical (X 2E and A 2A1 states) and the methoxide ionJournal of the American Chemical Society, 1974
- Study of the Electronic Structure of Molecules. IV. All-Electron SCF Wavefunction for the Ground State of PyridineThe Journal of Chemical Physics, 1967
- Study of the Electronic Structure of Molecules. II. Wavefunctions for the NH3+HCl→NH4Cl ReactionThe Journal of Chemical Physics, 1967