The 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
Paper
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954 results at The Journal of Chemical Physics
A theoretical study of the initial stages of Si(111)-7×7 oxidation. II. The dissociated state and formation of SiO4
- Boris Schubert
- Phaedon Avouris
- et al.
- 1993
- The Journal of Chemical Physics
PaperA comparison of a united atom and an explicit atom model in simulations of polymethylene
- Do Y. Yoon
- Grant D. Smith
- et al.
- 1993
- The Journal of Chemical Physics
PaperIonization potentials of small carbon clusters
- Ragulan Ramanathan
- Jeffrey A. Zimmerman
- et al.
- 1993
- The Journal of Chemical Physics
PaperStochastic dynamics simulations of polymethylene melts confined between solid surfaces
- R.G. Winkler
- T. Matsuda
- et al.
- 1993
- The Journal of Chemical Physics
PaperExperimental study of the surface structure of diblock copolymer films using microscopy and x-ray scattering
- Zhong-Hou Cai
- Kegang Huang
- et al.
- 1993
- The Journal of Chemical Physics
PaperA study of solvent effects on hyperpolarizabilities: The reaction field model applied to acetonitrile
- Andrew Willetts
- Julia E. Rice
- 1993
- The Journal of Chemical Physics
PaperInstability in a system of two interacting liquid films: Formation of liquid bridges between solid surfaces
- Mikel L. Forcada
- 1993
- The Journal of Chemical Physics
PaperInfrared-induced desorption of HD from lithium fluoride
- Paul M. Ferm
- Gary M. McClelland
- 1993
- The Journal of Chemical Physics
PaperDiatomic molecules, rotations, and path-integral Monte Carlo simulations: N2 and H2 on graphite
- D. Marx
- S. Sengupta
- et al.
- 1993
- The Journal of Chemical Physics
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