Self-consistent field molecular orbital wavefunctions for the ground and excited states of the PMDA molecule
- C.P. Keijzers
- P.S. Bagus
- 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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954 results at The Journal of Chemical Physics
A molecular beam investigation of the catalytic oxidation of CO on Pd (111)
- T. Engel
- G. Ertl
- 2008
- The Journal of Chemical Physics
Reflection spectra of the first singlet transition of crystalline phenanthrene
- K. Syassen
- M.R. Philpott
- 2008
- The Journal of Chemical Physics
Molecular beam-laser induced fluorescence studies on the chemical reactions H+NO2→OH+NO and H+ClO2→OH+ClO
- R.P. Mariella Jr.
- B. Lantzsch
- et al.
- 2008
- The Journal of Chemical Physics
Ab initio and model potential calculations for the ground state of SO 2
- S. Huzinaga
- M. Yoshimine
- 2008
- The Journal of Chemical Physics
The photoionization and photodissociation of CH in the vicinity of the ionization threshold
- J. Barsuhn
- R.K. Nesbet
- 2008
- The Journal of Chemical Physics
Vibrational relaxation in the para-H2-4He system: Comparison of coupled-channel, coupled-states, and effective potential methods
- Andrew W. Raczkowski
- William A. Lester Jr.
- et al.
- 2008
- The Journal of Chemical Physics
Ab initio configuration interaction study of the low-lying electronic states of MgH
- R.P. Saxon
- K. Kirby
- et al.
- 2008
- The Journal of Chemical Physics
Spin polarization of charge-transfer triplet excitons in phenanthrene-PMDA single crystals
- C.P. Keijzers
- J. Duran
- et al.
- 2008
- The Journal of Chemical Physics
Some exact results and the application of the mean spherical approximation to charged hard spheres near a charged hard wall
- Douglas Henderson
- Lesser Blum
- 2008
- The Journal of Chemical Physics