An effective core potential investigation of Ni, Pd, and Pt and their monohydrides
- 1 August 1986
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 85 (3) , 1447-1455
- https://doi.org/10.1063/1.451839
Abstract
No abstract availableKeywords
This publication has 36 references indexed in Scilit:
- Correlation of electron and hydrogen atom binding energies for transition-metal atomsJournal of the American Chemical Society, 1985
- Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitalsThe Journal of Chemical Physics, 1985
- CASSCF/CI calculations for first row transition metal hydrides: The TiH (4Φ), VH (5Δ), CrH (6Σ+), MnH (7Σ+), FeH (4,6Δ), and NiH (2Δ) statesThe Journal of Chemical Physics, 1983
- Relativistic contributions to the low-lying excitation energies and ionization potentials of the transition metalsThe Journal of Chemical Physics, 1981
- A pseudopotential study of the iron-series transition metal hydridesThe Journal of Chemical Physics, 1981
- On the d n4s2–d n+14s1 separation for selected first row transition metal atomsThe Journal of Chemical Physics, 1981
- Electronic structure of transition-metal hydrides: NiH and PdHPhysical Review A, 1981
- Methanation of CO over Ni catalyst: A theoretical studyJournal of Vacuum Science and Technology, 1977
- On the adsorption of hydrogen by supported transition-metal catalysts and MgOInternational Journal of Quantum Chemistry, 1976
- Rotational Analysis of theA2Δ5/2-X2Δ5/2andB2Δ5/2-X2Δ5/2Band Sub-Systems of PtDPhysica Scripta, 1974