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 study of molten KSi
- - Giulia Galli
  - Michele Parrinello
- 1991
- The Journal of Chemical Physics
All electron versus pseudopotentials in ab initio chemisorption cluster model calculations
- - Francesc Illas
  - Paul S. Bagus
- 1991
- The Journal of Chemical Physics
A theoretical study of Na(H₂O)_n⁺ (n = 1-4)
- - Charles W. Bauschlicher Jr.
  - Stephen R. Langhoff
  - et al.
- 1991
- The Journal of Chemical Physics
Mutual polarization of monomer charge distribution in (HCN)₂, (HCN)₃, and (HCN)_∞
- - R.S. Ruoff
- 1991
- The Journal of Chemical Physics
Structural study of a new Langmuir-Blodgett material designed for nonlinear optical applications
- - N.J. Geddes
  - M. Jurich
  - et al.
- 1991
- The Journal of Chemical Physics
Selected versus complete configuration interaction expansions
- - F. Illas
  - J. Rubio
  - et al.
- 1991
- The Journal of Chemical Physics
Theoretical characterization of tetrahedral N₄
- - Timothy J. Lee
  - Julia E. Rice
- 1991
- The Journal of Chemical Physics
Influence of monomer architecture on the shear properties of molecularly thin polymer melts
- - A. Homola
  - H. Nguyen
  - et al.
- 1991
- The Journal of Chemical Physics
Inelastic scattering of NO from Ag(111): Internal state, angle, and velocity resolved measurements
- - C.T. Rettner
  - J. Kimman
  - et al.
- 1991
- The Journal of Chemical Physics
The determination of accurate dipole polarizabilities α and γ for the noble gases
- - Julia E. Rice
  - Peter R. Taylor
  - et al.
- 1991
- The Journal of Chemical Physics