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 potential curve for the b ³Σ^- state of CH⁺
- - Roberta P. Saxon
  - B. Liu
- 1983
- The Journal of Chemical Physics
Nonrelativistic all electron SCF, MCSCF, and Cl calculations on the AgH, AuH, and Ag₂ molecules
- - A.D. McLean
- 1983
- The Journal of Chemical Physics
An orthogonal orbital MCSCF plus Cl treatment of molecular symmetry breaking. I. The lowest ³B₂ and ³A₂ states of CO₂
- - L. Engelbrecht
  - B. Liu
- 1983
- The Journal of Chemical Physics
An ab initio study of core-valence correlation
- - Harry Partridge
  - Charles W. Bauschlicher Jr.
  - et al.
- 1983
- The Journal of Chemical Physics
On the low-lying states of CuO
- - Paul S. Bagus
  - Constance J. Nelin
  - et al.
- 1983
- The Journal of Chemical Physics
On the properties of inhomogeneous charged systems
- - Lesser Blum
  - Christian Gruber
  - et al.
- 1983
- The Journal of Chemical Physics
Direct inelastic scattering of nitric oxide from clean Ag(111): Rotational and fine structure distributions
- - G.D. Kubiak
  - J.E. Hurst Jr.
  - et al.
- 1983
- The Journal of Chemical Physics
Frequency spectrum and dynamic correlations of concentrated polymer liquids
- - G. Ronca
- 1983
- The Journal of Chemical Physics
Phase transitions in lattice solutions of semiflexible chains
- - G. Ronca
- 1983
- The Journal of Chemical Physics
High vibrational overtone photochemistry of cyclobutene
- - Joseph M. Jasinski
  - Joan K. Frisoli
  - et al.
- 1983
- The Journal of Chemical Physics