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
Paper
Publications
954 results at The Journal of Chemical Physics
Calculations on the rate of the ion-molecule reaction between NH 3+ and H2
- Eric Herbst
- D.J. DeFrees
- et al.
- 1991
- The Journal of Chemical Physics
PaperTheoretical study of molten KSi
- Giulia Galli
- Michele Parrinello
- 1991
- The Journal of Chemical Physics
PaperLong-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
PaperAll electron versus pseudopotentials in ab initio chemisorption cluster model calculations
- Francesc Illas
- Paul S. Bagus
- 1991
- The Journal of Chemical Physics
PaperOn the potential energy surface for collinear OH2+ (4Σ-)
- Francesc Illas
- Paul S. Bagus
- et al.
- 1991
- The Journal of Chemical Physics
PaperA theoretical study of Na(H2O)n+ (n = 1-4)
- Charles W. Bauschlicher Jr.
- Stephen R. Langhoff
- et al.
- 1991
- The Journal of Chemical Physics
PaperRotationally resolved dicopper (Cu2) laser-induced fluorescence spectra
- Ralph H. Page
- Christopher S. Gudeman
- 1991
- The Journal of Chemical Physics
PaperInfluence of monomer architecture on the shear properties of molecularly thin polymer melts
- A. Homola
- H. Nguyen
- et al.
- 1991
- The Journal of Chemical Physics
PaperMutual polarization of monomer charge distribution in (HCN)2, (HCN)3, and (HCN)∞
- R.S. Ruoff
- 1991
- The Journal of Chemical Physics
Paper