Publications

954 results at The Journal of Chemical Physics

Exponential transformation of molecular orbitals
- - Jürg Hutter
  - Michele Parrinello
  - et al.
- 1994
- 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
Multiple time scale simulation of a flexible model of CO₂
- - Mark E. Tuckerman
  - Walter Langel
- 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
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
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
Stochastic dynamics simulations of polymethylene melts confined between solid surfaces
- - R.G. Winkler
  - T. Matsuda
  - et al.
- 1993
- The Journal of Chemical Physics
Adsorption of hydrated halide ions on charged electrodes. Molecular dynamics simulation
- - James N. Glosli
  - Michael R. Philpott
- 1993
- The Journal of Chemical Physics