Potential energy surface for the model unimolecular reaction HNC→HCN
- Peter K. Pearson
- Henry F. Schaefer III
- et al.
- 2008
- The Journal of Chemical Physics
Publications
This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
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7 results for Ulf Wahlgren
SCF ab-initio ground state energy surfaces for CO2 and CO 2
- J. Pacansky
- U. Wahlgren
- et al.
- 2008
- The Journal of Chemical Physics
Ab initio force constants for the HCN molecule: SCF and CI results
- U. Wahlgren
- J. Pacansky
- et al.
- 2008
- The Journal of Chemical Physics
Force constants for the symmetric stretch motions of acetylene: Accurate ab initio calculations
- P.S. Bagus
- J. Pacansky
- et al.
- 2008
- The Journal of Chemical Physics
Ab initio SCF and limited CL calculations on the d-d transitions in NiO
- P.S. Bagus
- U. Wahlgren
- 2006
- Molecular Physics
An algorithm for the construction of fully symmetry adapted Fock matrices for molecular Hartree-Fock calculations
- P.S. Bagus
- U. Wahlgren
- 1977
- Computers and Chemistry
Ab initio SCF computation of force constants for CO2
- Jacob Pacansky
- Ulf Wahlgren
- et al.
- 1976
- Theoretica Chimica Acta