A theoretical study of the initial stages of Si(111)-7×7 oxidation. I. The molecular precursor
- Boris Schubert
- Phaedon Avouris
- et al.
- 1993
- The Journal of Chemical Physics
Paper
Publications
954 results at The Journal of Chemical Physics
Stochastic dynamics simulations of polymethylene melts confined between solid surfaces
- R.G. Winkler
- T. Matsuda
- et al.
- 1993
- The Journal of Chemical Physics
PaperThe nature of the chemical bond in simple oxides: A theoretical journey from the ionic model to the ab initio configuration interaction approach F
- F. Illas
- A. Lorda
- et al.
- 1993
- The Journal of Chemical Physics
PaperFacile abstraction of chemisorbed D on Si(100) by atomic H
- D.D. Koleske
- S. Gates
- et al.
- 1993
- The Journal of Chemical Physics
PaperBond length, dipole moment, and harmonic frequency of CO
- Leslie A. Barnes
- Bowen Liu
- et al.
- 1993
- The Journal of Chemical Physics
PaperStructure and energetics of Cr(CO)6 and Cr(CO)5
- Leslie A. Barnes
- Bowen Liu
- et al.
- 1993
- The Journal of Chemical Physics
PaperInfluence of Si surface structure on reaction mechanism: Atomic hydrogen+adsorbed Br
- D.D. Koleske
- S. Gates
- 1993
- The Journal of Chemical Physics
PaperA comparison of calculated and experimental hyperpolarizabilities for acetonitrile in gas and liquid phases
- M. Stähelin
- C.R. Moylan
- et al.
- 1993
- The Journal of Chemical Physics
ReviewComparison of local-density and Hartree-Fock calculations of molecular polarizabilities and hyperpolarizabilities
- Jingang Guan
- Patrick Duffy
- et al.
- 1993
- The Journal of Chemical Physics
ReviewDecomposition of the chemisorption bond by constrained variations: Order of the variations and construction of the variational spaces
- Paul S. Bagus
- Francesc Illas
- 1992
- The Journal of Chemical Physics
Paper