Publications

954 results at The Journal of Chemical Physics

On the use of corresponding orbitals in the calculation of nonorthogonal transition moments
- - Byron H. Lengsfield III
  - Jawed A. Jafri
  - et al.
- 1981
- The Journal of Chemical Physics
Infrared matrix isolation studies on the t-butyl radical
- - J. Pacansky
  - J.S. Chang
- 1981
- The Journal of Chemical Physics
Theoretical studies on the structure of isobutane and the tertiary-butyl radical
- - M. Yoshimine
  - J. Pacansky
- 1981
- 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
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
Application of perturbation theory to the crystal-melt interface
- - Alain Bonissent
  - Farid F. Abraham
- 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
An investigation of the transition moment of the A ¹Σ ⁺-X ¹Σ⁺ bands of CsH
- - Sze-Cheng Yang
  - Yin-Kang Hsieh
  - 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