Publications

954 results at The Journal of Chemical Physics

The energy separation between the classical and nonclassical isomers of protonated acetylene. An extensive study in one- And n-particle space saturation
- - Roland Lindh
  - Julia E. Rice
  - et al.
- 1991
- The Journal of Chemical Physics
Theoretical characterization of tetrahedral N₄
- - Timothy J. Lee
  - Julia E. Rice
- 1991
- The Journal of Chemical Physics
Mutual polarization of monomer charge distribution in (HCN)₂, (HCN)₃, and (HCN)_∞
- - R.S. Ruoff
- 1991
- The Journal of Chemical Physics
A theoretical study of Na(H₂O)_n⁺ (n = 1-4)
- - Charles W. Bauschlicher Jr.
  - Stephen R. Langhoff
  - et al.
- 1991
- The Journal of Chemical Physics
All electron versus pseudopotentials in ab initio chemisorption cluster model calculations
- - Francesc Illas
  - Paul S. Bagus
- 1991
- The Journal of Chemical Physics
Orientation and absolute coverage of furan and 2,5-dihydrofuran on Ag(110) determined by near edge x-ray absorption fine structure and x-ray photoelectron spectroscopy
- - J. Solomon
  - R.J. Madix
  - 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
Theoretical study of molten KSi
- - Giulia Galli
  - Michele Parrinello
- 1991
- The Journal of Chemical Physics
Selected versus complete configuration interaction expansions
- - F. Illas
  - J. Rubio
  - et al.
- 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