Publications

954 results at The Journal of Chemical Physics

Structural and electronic properties of sodium microclusters (n=2-20) at low and high temperatures: New insights from ab initio molecular dynamics studies
- - Ursula Röthlisberger
  - Wanda Andreoni
- 1991
- The Journal of Chemical Physics
Bonding geometry and bonding character of thiocyanate adsorbed on a Ag(100) surface
- - Gianfranco Pacchioni
  - Francesc Illas
  - et al.
- 1991
- The Journal of Chemical Physics
Molecular dynamics algorithm for multiple time scales: Systems with disparate masses
- - Mark E. Tuckerman
  - Bruce J. Berne
  - et al.
- 1991
- The Journal of Chemical Physics
Dynamics of the chemisorption of O₂ on Pt(111): Dissociation via direct population of a molecularly chemisorbed precursor at high incidence kinetic energy
- - C.T. Rettner
  - C.B. Mullins
- 1991
- The Journal of Chemical Physics
Effect of reagent rotation on product energy disposal in the light atom transfer reaction Q³P]+HCI(v=2,J= 1,6,9)→OH(v′,N′) +Cl(²P)
- - Rong Zhang
  - Wim J. Van Der Zande
  - et al.
- 1991
- The Journal of Chemical Physics
Accurate ab initio calculations of the quadrupole moment of acetylene. A combined study of basis set, correlation, and vibrational effects
- - R. Lindh
  - B. Liu
- 1991
- The Journal of Chemical Physics
Long-range poisoning of D₂ dissociative chemisorption on Pt(111) by coadsorbed K
- - J. Brown
  - A.C. Luntz
  - et al.
- 1991
- The Journal of Chemical Physics
Classical model of femtosecond time-resolved absorption spectra of dissociating molecules
- - R.E. Walkup
  - J. Misewich
  - et al.
- 1991
- The Journal of Chemical Physics
Rotationally resolved dicopper (Cu₂) laser-induced fluorescence spectra
- - Ralph H. Page
  - Christopher S. Gudeman
- 1991
- The Journal of Chemical Physics
On the potential energy surface for collinear OH₂⁺ (⁴Σ^-)
- - Francesc Illas
  - Paul S. Bagus
  - et al.
- 1991
- The Journal of Chemical Physics