Publications

954 results at The Journal of Chemical Physics

Finite-temperature characterization of ferrocene from first-principles molecular dynamics simulations
- - Peter Margl
  - Karlheinz Schwarz
  - et al.
- 1994
- The Journal of Chemical Physics
Scanning 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
Thermodynamics 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
Correlated dipole oscillator sum rules
- - Martin J. Packer
  - Stephan P. A. Sauer
  - et al.
- 1994
- The Journal of Chemical Physics
Multiple time scale simulation of a flexible model of CO₂
- - Mark E. Tuckerman
  - Walter Langel
- 1994
- The Journal of Chemical Physics
Potential energy curves of M(np ²P)·RG(²Π) excited states and M⁺·RG ground states (M=Li, Na; RG=He, Ne)
- - Solomon Bililign
  - Maciej Gutowski
  - et al.
- 1994
- The Journal of Chemical Physics
Anisotropic rigid rotor potential energy function for H₂O-H ₂
- - Timothy R. Phillips
  - Sergio Maluendes
  - et al.
- 1994
- The Journal of Chemical Physics
Delocalization length and structure of oligopyrroles and of polypyrrole from their vibrational spectra
- - G. Zerbi
  - M. Veronelli
  - et al.
- 1994
- The Journal of Chemical Physics
The search for direct vibrational excitation in gas-surface collisions of CO with Au(111)
- - C.T. Rettner
- 1993
- The Journal of Chemical Physics
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