Study of the structure of molecular complexes. X. Dipole moment surface for the lithium-fluoride-water complex
- E.R. Chan
- E. Clementi
- et al.
- 2008
- The Journal of Chemical Physics
Publications
12 results for George C. Lie
Study of the structure of molecular complexes. XII. Structure of liquid water obtained by Monte Carlo simulation with the Hartree-Fock potential corrected by inclusion of dispersion forces
- G.C. Lie
- E. Clementi
- 2008
- The Journal of Chemical Physics
Study of the structure of molecular complexes. XIII. Monte Carlo simulation of liquid water with a configuration interaction pair potential
- George C. Lie
- E. Clementi
- et al.
- 2008
- The Journal of Chemical Physics
Valence excited states of CH. I. Potential curves
- George C. Lie
- Juergen Hinze
- et al.
- 2003
- The Journal of Chemical Physics
Valence excited states of CH. II. Properties
- George C. Lie
- Juergen Hinze
- et al.
- 2003
- The Journal of Chemical Physics
Calculated a4Σ-, A 2Δ, B 2Σ- states of CH
- George C. Lie
- Juergen Hinze
- et al.
- 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
Study of the theoretical dipole moment function and infrared transition matrix for the X1S+ state of the HF molecule
- George C. Lie
- 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 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