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
Publications
Date
Featured collections
Popular topics
188 results for P.S. Bagus
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
Corresponding Orbital Analysis of the Bonding of Some Monosubstituted Benzenes
- Hans Ågren
- Paul S. Bagus
- 2002
- JACS
In Situ Vibrational Spectroscopy of Contact Adsorbed Thiocyanate on Silver Electrodes: Experiment and Theory
- M.G. Samant
- K. Kunimatsu
- et al.
- 2002
- Langmuir
Electron Correlation and the Reality of Xenon Difluoride
- Paul S. Bagus
- Bowen Liu
- et al.
- 2002
- JACS
Probable Nonexistence of Xenon Monofluoride as a Chemically Bound Species in the Gas Phase
- Dean H. Liskow
- Henry F. Schaefer
- et al.
- 2002
- JACS
Electronic Structure and Properties of Krypton Difluoride
- Paul S. Bagus
- Bowen Liu
- et al.
- 2002
- JACS
Structure and Energetics of Simple Carbenes CH2, CHF, CHCl, CHBr, CF2, and CCl2
- Charles W. Bauschlicher
- Henry F. Schaefer
- et al.
- 2002
- JACS
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