Excited states of MgO: A cluster model study
- P.S. Bagus
- F. Illas
- et al.
- 1994
- The Journal of Chemical Physics
Paper
Publications
954 results at The Journal of Chemical Physics
Thermodynamics of strongly-coupled Yukawa systems near the one-component-plasma limit. II. Molecular dynamics simulations
- R.T. Farouki
- S. Hamaguchi
- 1994
- The Journal of Chemical Physics
PaperIntegrating the Car-Parrinello equations. I. Basic integration techniques
- Mark E. Tuckerman
- Michele Parrinello
- 1994
- The Journal of Chemical Physics
PaperExponential transformation of molecular orbitals
- Jürg Hutter
- Michele Parrinello
- et al.
- 1994
- The Journal of Chemical Physics
PaperFinite-temperature characterization of ferrocene from first-principles molecular dynamics simulations
- Peter Margl
- Karlheinz Schwarz
- et al.
- 1994
- The Journal of Chemical Physics
PaperScanning tunneling microscopy (STM) studies of the chemical vapor deposition of Ge on Si(111) from Ge hydrides and a comparison with molecular beam epitaxy
- J. Wintterlin
- Ph. Avouris
- 1994
- The Journal of Chemical Physics
PaperThermodynamics of strongly-coupled Yukawa systems near the one-component-plasma limit. I. Derivation of the excess energy
- S. Hamaguchi
- R.T. Farouki
- 1994
- The Journal of Chemical Physics
PaperMultiple time scale simulation of a flexible model of CO2
- Mark E. Tuckerman
- Walter Langel
- 1994
- The Journal of Chemical Physics
PaperThe search for direct vibrational excitation in gas-surface collisions of CO with Au(111)
- C.T. Rettner
- 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
Paper