H3+ as a trap for noble gases-3: Multiple trapping of neon, argon, and krypton in Xn H3+ (n=1-3)
- F. Pauzat
- Y. Ellinger
- et al.
- 2009
- Journal of Chemical Physics
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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13 results for Y. Ellinger
Ab initio study of the vibrational dependence of hyperfine coupling constants in the methyl, silyl, and formaldehyde anion radicals
- Y. Ellinger
- F. Pauzat
- et al.
- 2008
- The Journal of Chemical Physics
Exponential transformation of molecular orbitals: A quadratically convergent SCF procedure. I. General formulation and application to closed-shell ground states
- J. Douady
- Y. Ellinger
- et al.
- 2008
- The Journal of Chemical Physics
H3+ as a trap for noble gases: 1 - The case of Argon
- F. Pauzat
- Y. Ellinger
- 2005
- Planetary and Space Science
Theoretical IR spectra of ionized naphthalene
- F. Pauzat
- D. Talbi
- et al.
- 2002
- Journal of Physical Chemistry
Modelling the signatures of interstellar polycyclic aromatic hydrocarbons with quantum chemistry
- Y. Ellinger
- F. Pauzat
- et al.
- 1998
- Journal of Molecular Structure: THEOCHEM
Structures and infrared spectra of perfluoroaldehyde and perfluoroacetaldehyde
- J. Pacansky
- R.J. Waltman
- et al.
- 1994
- Journal of Physical Chemistry
Theoretical infrared spectra of some model polycyclic aromatic hydrocarbons: Effect of ionization
- D.J. De Frees
- M.D. Miller
- et al.
- 1993
- Astrophysical Journal
Is interstellar detection of higher members of the linear radicals CnCH and CnN feasible?
- F. Pauzat
- Y. Ellinger
- et al.
- 1991
- ApJ
An AB initio configuration interaction study of cis and trans ground-state hoco radical using localized orbitals: Structural analysis or correlation effects
- A.D. McLean
- Y. Ellinger
- 1985
- Chemical Physics