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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14 results for M. Dupuis

Assignment of the Infrared Spectrum for the Ethyl Radical
- - J. Pacansky
  - M. Dupuis
- 2002
- JACS
The structure of the ethyl radical
- - J. Pacansky
  - M. Dupuis
- 2008
- The Journal of Chemical Physics
Molecular symmetry. II. Gradient of electronic energy with respect to nuclear coordinates
- - Michel Dupuis
  - Harry F. King
- 2008
- The Journal of Chemical Physics
The ground electronic state of B₂
- - M. Dupuis
  - B. Liu
- 2008
- The Journal of Chemical Physics
Ab initio study for the structure of propane and the n-propyl radical
- - J. Pacansky
  - M. Dupuis
- 2008
- The Journal of Chemical Physics
Proton-H₂ scattering on an ab initio CI potential energy surface. I. Vibrational excitation at 10 eV
- - R. Schinke
  - M. Dupuis
  - et al.
- 2008
- The Journal of Chemical Physics
Theoretical study of C₂ and C₂^-
- - M. Dupuis
  - B. Liu
- 2008
- The Journal of Chemical Physics
Ab initio study on the isopropyl radical
- - J. Pacansky
  - M. Dupuis
- 2008
- The Journal of Chemical Physics
Theoretical study of the O(³P) + allene reaction
- - B.L. Hammond
  - S.-Y. Huang
  - et al.
- 2002
- Journal of Physical Chemistry
Electron correlation effects in hyperpolarizabilities of p-nitroaniline
- - Fiona Sim
  - Steven Chin
  - et al.
- 1993
- Journal of Physical Chemistry