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

Theoretical investigations of reactive collisions in molecular beams: K⁺CH₃I and related systems
- - L.M. Raff
  - M. Karplus
- 2004
- The Journal of Chemical Physics
NMR spectrum of 3-chlorothietane, an example of complete NMR spectral analysis by computer techniques
- - Wahren D. Keller
  - T.R. Lusebrink
  - et al.
- 2004
- The Journal of Chemical Physics
Approximations to Hartree-Fock perturbation theory
- - P.W. Langhoff
  - M. Karplus
  - et al.
- 2004
- The Journal of Chemical Physics
Electronic structure of C₂
- - P.F. Fougere
  - R.K. Nesbet
- 2004
- The Journal of Chemical Physics
Studies of zero-field splittings in aromatic molecules
- - M. Godfrey
  - C.W. Kern
  - et al.
- 2004
- The Journal of Chemical Physics
Ionic adsorption and dissociation cross section for nitrogen
- - H.F. Winters
- 2004
- The Journal of Chemical Physics
Effects of charge compensation on the absorption spectrum of Yb ³⁺ in cadmium fluoride
- - E. Banks
  - P. Wagner
- 2004
- The Journal of Chemical Physics
Laser-induced luminescence and dissociation in biphenyl
- - K.B. Eisenthal
  - W.L. Peticolas
  - et al.
- 2004
- The Journal of Chemical Physics
Spin delocalization in the allyl and ethyl radicals
- - D. Lazdins
  - M. Karplus
- 2004
- The Journal of Chemical Physics
Energy dependence of cross sections for hot tritium reactions with hydrogen and deuterium molecules
- - M. Karplus
  - R.N. Porter
  - et al.
- 2004
- The Journal of Chemical Physics