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

Ab initio configuration interaction study of the Rydberg states of O ₂. II. Calculations on the ³Σ_g^-, ³Σ_u^-, ³Π _g,¹Π_g, and ¹Σ _g⁺ symmetries
- - Roberta P. Saxon
  - B. Liu
- 2008
- The Journal of Chemical Physics
Theoretical study of C₂ and C₂^-
- - M. Dupuis
  - B. Liu
- 2008
- The Journal of Chemical Physics
Surface enhanced Raman scattering by pyridine on silver island films in an ultrahigh vacuum
- - H. Seki
  - M.R. Philpott
- 2008
- The Journal of Chemical Physics
The effects of basis set quality and configuration mixing in ab initio calculations of the ionization potentials of the nitrogen molecule
- - W.C. Ermler
  - A.D. McLean
- 2008
- The Journal of Chemical Physics
Mossbauer spectroscopy of the mixed-spin and high-spin states of Chromatium ferricytochrome c′
- - M.M. Maltempo
  - T.H. Moss
  - et al.
- 2008
- The Journal of Chemical Physics
Laser photochemistry and hole-burning of chlorin in crystalline n-alkanes at low temperatures
- - S. Völker
  - R.M. Macfarlane
- 2008
- The Journal of Chemical Physics
Electron-phonon coupling in amorphous organic host materials as investigated by photochemical hole burning
- - J. Friedrich
  - J.D. Swalen
  - et al.
- 2008
- The Journal of Chemical Physics
The phase equilibria in thermotropic liquid crystalline systems
- - Mark Warner
  - P.J. Flory
- 2008
- The Journal of Chemical Physics
Interaction energies in nematogens
- - Mark Warner
- 2008
- The Journal of Chemical Physics
Ab initio study on the isopropyl radical
- - J. Pacansky
  - M. Dupuis
- 2008
- The Journal of Chemical Physics