Publications

954 results at The Journal of Chemical Physics

Monte Carlo simulation of the liquid-vapor interface of water using an ab initio potential
- - George C. Lie
  - Stelian Grigoras
  - et al.
- 1993
- The Journal of Chemical Physics
Influence of Si surface structure on reaction mechanism: Atomic hydrogen+adsorbed Br
- - D.D. Koleske
  - S. Gates
- 1993
- The Journal of Chemical Physics
Diatomic 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
Calculation of vibrational dynamic hyperpolarizabilities for H ₂O, CO₂, and NH₃
- - David M. Bishop
  - Bernard Kirtman
  - et al.
- 1993
- The Journal of Chemical Physics
Effect of rotation on the translational and vibrational energy dependence of the dissociative adsorption of D₂ on Cu(111)
- - H.A. Michelsen
  - C.T. Rettner
  - et al.
- 1993
- The Journal of Chemical Physics
Structure and energetics of Cr(CO)₆ and Cr(CO)₅
- - Leslie A. Barnes
  - Bowen Liu
  - et al.
- 1993
- The Journal of Chemical Physics
Sudden structural change at an air/binary liquid interface: Sum frequency study of the air/acetonitrile-water interface
- - D. Zhang
  - J.H. Gutow
  - et al.
- 1993
- The Journal of Chemical Physics
Bond length, dipole moment, and harmonic frequency of CO
- - Leslie A. Barnes
  - Bowen Liu
  - et al.
- 1993
- The Journal of Chemical Physics
Reversal of the isotopic effect in the surface behavior of binary polymer blends
- - Arvind Hariharan
  - Sanat K. Kumar
  - et al.
- 1993
- 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