Publications

954 results at The Journal of Chemical Physics

Study of the electronic structure of molecules. XXII. Correlation energy corrections as a functional of the Hartree Fock type density and its application to the homonuclear diatomic molecules of the second row atoms
- - George C. Lie
  - Enrico Clement
- 2003
- The Journal of Chemical Physics
Accurate ab initia calculation of the BeH molecule. I. the X ²Σ⁺ and A²∏ states
- - P.S. Bagus
  - C. Moser
  - et al.
- 2003
- The Journal of Chemical Physics
Molecular properties of excited electronic states: The ã ³A″ and Ã ¹A″ states of formaldehyde
- - Barbara J. Garrison
  - Henry F. Schaefer III
  - et al.
- 2003
- The Journal of Chemical Physics
Study of the electronic structure of molecules. XVIII. Interaction between a lithium atom and a cyano group as an example of a polytopic bond
- - E. Clementi
  - H. Kistenmacher
  - et al.
- 2003
- The Journal of Chemical Physics
Study of the structure of molecular complexes. VI. Dimers and small clusters of water molecules in the Hartree-Fock approximation
- - H. Kistenmacher
  - G.C. Lie
  - et al.
- 2003
- The Journal of Chemical Physics
Improved potentials for Ne+Ar, Ne+Kr, and Ne+Xe
- - C.Y. Ng
  - Y.T. Lee
  - et al.
- 2003
- The Journal of Chemical Physics
Perturbation theory for a mixture of hard spheres and square-well molecules
- - Douglas Henderson
- 2003
- The Journal of Chemical Physics
Physical cluster free energy from liquid-state perturbation theory
- - Farid F. Abraham
  - Jong K. Lee
  - et al.
- 2003
- The Journal of Chemical Physics
Multiplescattering method based on overlapping atomic spheres with application to the TCNQ molecule
- - Frank Herman
  - Arthur R. Williams
  - et al.
- 2003
- The Journal of Chemical Physics
A theoretical study of the lithium fluoride molecule in water
- - R.O. Watts
  - E. Clementi
  - et al.
- 2003
- The Journal of Chemical Physics