Publications

954 results at The Journal of Chemical Physics

Quantum "melting" of orientationally ordered physisorbates
- - D. Marx
  - P. Nielaba
- 1995
- The Journal of Chemical Physics
Quantum-state-specific dynamics of the dissociative adsorption and associative desorption of H₂ at a Cu(111) surface
- - C.T. Rettner
  - H.A. Michelsen
  - et al.
- 1995
- The Journal of Chemical Physics
Electrostatic decoupling of periodic images of plane-wave-expanded densities and derived atomic point charges
- - P.E. Blöchl
- 1995
- The Journal of Chemical Physics
Hydrogen on polycrystalline diamond films: Studies of isothermal desorption and atomic deuterium abstraction
- - D.D. Koleske
  - S. Gates
  - et al.
- 1995
- The Journal of Chemical Physics
Ionic and covalent electronic states for K adsorbed on Cu₅ and Cu₂₅ cluster models of the Cu(100) surface
- - Paul S. Bagus
  - Gianfranco Pacchioni
- 1995
- The Journal of Chemical Physics
Collision dynamics for an asymmetric top rotor and a linear rotor: Coupled channel formalism and application to H₂O-H₂
- - Timothy R. Phillips
  - Sergio Maluendes
  - et al.
- 1995
- The Journal of Chemical Physics
Influence of surface topology and electrostatic potential on water/electrode systems
- - J. Ilja Siepmann
  - Michiel Sprik
- 1995
- The Journal of Chemical Physics
Laser sputtering of highly oriented pyrolytic graphite at 248 nm
- - Douglas J. Krajnovich
- 1995
- The Journal of Chemical Physics
Integrating the Car-Parrinello equations. III. Techniques for ultrasoft pseudopotentials
- - Jürg Hutter
  - Mark Tuckerman
  - et al.
- 1995
- The Journal of Chemical Physics
An optimized united atom model for simulations of polymethylene melts
- - Wolfgang Paul
  - Do Y. Yoon
  - et al.
- 1995
- The Journal of Chemical Physics