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
PNO-CI studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane
- - Wilfried Meyer
- 2003
- The Journal of Chemical Physics
On the Mott-Cabrera oxidation rate equation and the inverse-logarithmic law
- - Richard Ghez
- 2003
- The Journal of Chemical Physics
Study of the electronic structure of molecules XXII. Additional ab initio computations for the barrier to internal rotation in polynucleotide chains
- - George C. Lie
  - Enrico Clementi
- 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
A theoretical study of the lithium fluoride molecule in water
- - R.O. Watts
  - E. Clementi
  - 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
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
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