Publications

954 results at 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
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
Simple basis sets for molecular wavefunctions containing atoms from Z = 2 to Z = 54
- - Caria Roetti
  - Enrico Clementi
- 2003
- The Journal of Chemical Physics
Self-consistent phonon calculation of the β phase and the α-β transition in solid nitrogen
- - J.C. Raich
  - N.S. Gillis
  - et al.
- 2003
- The Journal of Chemical Physics
Rotational transitions in H₂ by Li⁺ collisions at e_c.m.=0.6 eV; Comparison with experiment
- - William A. Lester Jr.
  - Joachim Schaefer
- 2003
- The Journal of Chemical Physics
Ab initio potential energy surface for linear H₃
- - B. Liu
- 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 structure of molecular complexes. VII. Effect of correlation energy corrections to the Hartree-Fock water-water potential on Monte Carlo simulations of liquid water
- - H. Kistenmacher
  - H. Popkie
  - et al.
- 2003
- The Journal of Chemical Physics
Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree-Fock density and its application to the hydrides of the second row atoms
- - George C. Lie
  - Enrico Clementi
- 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