Publications

954 results at 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
Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11-18
- - A.D. McLean
  - G.S. Chandler
- 2008
- The Journal of Chemical Physics
Monte Carlo calculations of the equation of state of the square-well fluid as a function of well width
- - Douglas Henderson
  - Osvaldo H. Scalise
  - et al.
- 2008
- The Journal of Chemical Physics
Reflection and absorption spectra of singlet charge transfer excitons in anthracene-PMDA crystals
- - Aldo Brillante
  - Michael R. Philpott
- 2008
- The Journal of Chemical Physics
Infrared laser induced reaction of SF₆ with silicon surfaces
- - T.J. Chuang
- 2008
- The Journal of Chemical Physics
The photochemistry and infrared spectrum of the isopropyl radical
- - J. Pacansky
  - H. Coufal
- 2008
- The Journal of Chemical Physics
The chemical dynamics of the reactions of O(³P) with saturated hydrocarbons. I. Experiment
- - P. Andresen
  - A.C. Luntz
- 2008
- The Journal of Chemical Physics
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
Infrared laser multiple photon ionization
- - Phaedon Avouris
  - I.Y. Chan
  - et al.
- 2008
- The Journal of Chemical Physics
Monte Carlo studies of porphyrin in the Shpolskii matrix n-octane
- - T.R. Koehler
- 2008
- The Journal of Chemical Physics