Publications

954 results at The Journal of Chemical Physics

A hybrid method for improving MCSCF convergence
- - Charles W. Bauschlicher Jr.
  - Paul S. Bagus
  - et al.
- 1981
- The Journal of Chemical Physics
Tetraphenyl-group IV B compounds: Flexible molecules with high symmetry crystals. I. Assignment of low frequency infrared and Raman bands
- - N.E. Schlotter
  - Bruce Hudson
- 1981
- The Journal of Chemical Physics
Vibrational overtone spectroscopy of benzene and pyridine on Ag(111)
- - Ph. Avouris
  - J.E. Demuth
- 1981
- The Journal of Chemical Physics
The adsorption and reaction of methanol on Pd(100). II. Thermal desorption and decomposition
- - K. Christmann
  - J.E. Demuth
- 1981
- The Journal of Chemical Physics
The orange arc bands of CaO. Analysis of a D,d ^1,3Δ-a ³Π system
- - Ronald F. Marks
  - Hartmut S. Schweda
  - et al.
- 1981
- The Journal of Chemical Physics
The fcc (111) and (100) crystal-melt interfaces: A comparison by molecular dynamics simulation
- - J.Q. Broughton
  - A. Bonissent
  - et al.
- 1981
- The Journal of Chemical Physics
Half-projected Hartree-Fock calculations on several small molecules
- - Byron H. Lengsfield III
  - Donald H. Phillips
  - et al.
- 1981
- The Journal of Chemical Physics
The spectroscopy of xanthione in xanthone: An example of spin-orbit coupling dominated zero-field splitting
- - Donald M. Burland
- 1981
- The Journal of Chemical Physics
A second order MCSCF method for large CI expansions
- - Byron H. Lengsfield III
  - Bowen Liu
- 1981
- The Journal of Chemical Physics
Generalized van der Waals theories and the asymptotic form of the density profile of a liquid-vapor interface
- - J.A. Barker
  - J.R. Henderson
- 1981
- The Journal of Chemical Physics