A proposal for the proper use of pseudopotentials in molecular orbital cluster model studies of chemisorption
- Paul S. Bagus
- Charles W. Bauschlicher Jr.
- et al.
- 1984
- The Journal of Chemical Physics
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39 results for Charles W. Bauschlicher
The metal-carbonyl bond in Ni(CO)4 and Fe(CO)5: A clear-cut analysis
- Charles W. Bauschlicher Jr.
- Paul S. Bagus
- 1984
- The Journal of Chemical Physics
On the nature of the bonding of lone pair ligands to a transition metal
- Paul S. Bagus
- Klaus Hermann
- et al.
- 1984
- The Journal of Chemical Physics
NiNO. A model for NO on a metal surface
- Charles W. Bauschlicher Jr.
- Paul S. Bagus
- 1984
- The Journal of Chemical Physics
Bonding of CO to metal surfaces: A new interpretation
- Paul S. Bagus
- Constance J. Nelin
- et al.
- 1983
- Physical Review B
On the nature of the low-lying states of TiO
- Charles W. Bauschlicher Jr.
- Paul S. Bagus
- et al.
- 1983
- Chemical Physics Letters
Charging and hybridization in the finite cluster model
- Charles W. Bauschlicher Jr.
- Paul S. Bagus
- et al.
- 1983
- Chemical Physics Letters
The convergence of the cluster model for the study of chemisorption: Be36H
- Paul S. Bagus
- Henry F. Schaefer III
- et al.
- 1983
- The Journal of Chemical Physics
An ab initio study of core-valence correlation
- Harry Partridge
- Charles W. Bauschlicher Jr.
- et al.
- 1983
- The Journal of Chemical Physics
On the low-lying states of CuO
- Paul S. Bagus
- Constance J. Nelin
- et al.
- 1983
- The Journal of Chemical Physics