Lowest 5Σ+ state of FeO: An ab initio investigation
- P.S. Bagus
- H.J.T. Preston
- 2003
- Journal of Chemical Physics
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188 results for P.S. Bagus
Accurate ab initia calculation of the BeH molecule. I. the X 2Σ+ and A2∏ states
- P.S. Bagus
- C. Moser
- et al.
- 2003
- The Journal of Chemical Physics
7Σ+ and7∏ states of manganese hydride
- Paul S. Bagus
- Henry F. Schaefer III
- 2003
- The Journal of Chemical Physics
Use of nonrelativistic wavefunctions for the prediction of properties of molecules containing atoms of high Z. PbO as a test case
- Gretchen M. Schwenzer
- Dean H. Liskow
- et al.
- 2003
- The Journal of Chemical Physics
Multi-configuration Hartree-Fock calculations III. Calculations of the 3P, 1D and 1S states arising from the 1s 22s22p2 configuration for Z = 7·0 to Z = 30·0
- P.S. Bagus
- C. Moser
- 2002
- Journal of Physics B: Atomic and Molecular Physics
In Situ Vibrational Spectroscopy of Contact Adsorbed Thiocyanate on Silver Electrodes: Experiment and Theory
- M.G. Samant
- K. Kunimatsu
- et al.
- 2002
- Langmuir
Metal-Phosphine Bonding Revisited. σ-Basicity, π-Acidity, and the Role of Phosphorus d Orbitals in Zerovalent Metal-Phosphine Complexes
- Gianfranco Pacchioni
- Paul S. Bagus
- 2002
- Inorganic Chemistry
Multiconfiguration Hartree-Fock calculations. IV. Calculations of the 2p3 and 2p4 isoelectronic series
- P.S. Bagus
- A. Hibbert
- et al.
- 2001
- Journal of Physics B: Atomic and Molecular Physics
Cluster and band structure ab initio calculations on the adsorption of CO on acid sites of the TiO2(110) surface
- Gianfranco Pacchionia
- Anna Maria Ferrari
- et al.
- 1996
- Surface Science
Adsorption of CO and NO on NiO and CoO: A comparison
- M. Schönnenbeck
- D. Cappus
- et al.
- 1996
- Surface Science