Molecular symmetry. II. Gradient of electronic energy with respect to nuclear coordinates
- Michel Dupuis
- Harry F. King
- 2008
- The Journal of Chemical Physics
Paper
Publications
14 results for M. Dupuis
The structure of the ethyl radical
- J. Pacansky
- M. Dupuis
- 2008
- The Journal of Chemical Physics
PaperThe ground electronic state of B2
- M. Dupuis
- B. Liu
- 2008
- The Journal of Chemical Physics
PaperAb initio study for the structure of propane and the n-propyl radical
- J. Pacansky
- M. Dupuis
- 2008
- The Journal of Chemical Physics
PaperProton-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
PaperAb initio study on the isopropyl radical
- J. Pacansky
- M. Dupuis
- 2008
- The Journal of Chemical Physics
PaperTheoretical study of C2 and C2-
- M. Dupuis
- B. Liu
- 2008
- The Journal of Chemical Physics
PaperAssignment of the Infrared Spectrum for the Ethyl Radical
- J. Pacansky
- M. Dupuis
- 2002
- JACS
PaperTheoretical study of the O(3P) + allene reaction
- B.L. Hammond
- S.-Y. Huang
- et al.
- 2002
- Journal of Physical Chemistry
PaperElectron correlation effects in hyperpolarizabilities of p-nitroaniline
- Fiona Sim
- Steven Chin
- et al.
- 1993
- Journal of Physical Chemistry
Paper