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

Physical cluster free energy from liquid-state perturbation theory
- - Farid F. Abraham
  - Jong K. Lee
  - et al.
- 2003
- The Journal of Chemical Physics
Perturbation theory for a mixture of hard spheres and square-well molecules
- - Douglas Henderson
- 2003
- The Journal of Chemical Physics
Surface structure and surface tension: Perturbation theory and Monte Carlo calculation
- - Jong K. Lee
  - J.A. Barker
  - et al.
- 2003
- The Journal of Chemical Physics
Molecular properties of excited electronic states: The ã ³A″ and Ã ¹A″ states of formaldehyde
- - Barbara J. Garrison
  - Henry F. Schaefer III
  - et al.
- 2003
- The Journal of Chemical Physics
A theoretical study of the lithium fluoride molecule in water
- - R.O. Watts
  - E. Clementi
  - et al.
- 2003
- The Journal of Chemical Physics
CHarge transfer equilibria in TTF-TCNQ solutions
- - Y. Tomkiewicz
  - J.B. Torrance
  - et al.
- 2003
- The Journal of Chemical Physics
Analytical Hartree-Fock wavefunctions for the neutral atoms from helium to xenon
- - Carla Roetti
  - Enrico Clementi
- 2003
- The Journal of Chemical Physics
Rotational transitions in H₂ by Li⁺ collisions at e_c.m.=0.6 eV; Comparison with experiment
- - William A. Lester Jr.
  - Joachim Schaefer
- 2003
- The Journal of Chemical Physics
Self-consistent phonon calculation of the β phase and the α-β transition in solid nitrogen
- - J.C. Raich
  - N.S. Gillis
  - et al.
- 2003
- The Journal of Chemical Physics
Near infrared absorption spectrum of HO₂
- - H.E. Hunziker
  - H.R. Wendt
- 2003
- The Journal of Chemical Physics