A theoretical study of the lithium fluoride molecule in water
- R.O. Watts
- E. Clementi
- et al.
- 2003
- The Journal of Chemical Physics
Paper
Publications
954 results at 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
PaperAccurate 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
PaperSimple basis sets for molecular wavefunctions containing atoms from Z = 2 to Z = 54
- Caria Roetti
- Enrico Clementi
- 2003
- The Journal of Chemical Physics
PaperSelf-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
PaperStudy 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
PaperStudy 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
PaperMolecular properties of excited electronic states: The ã 3A″ and à 1A″ states of formaldehyde
- Barbara J. Garrison
- Henry F. Schaefer III
- et al.
- 2003
- The Journal of Chemical Physics
PaperPerturbation theory for a mixture of hard spheres and square-well molecules
- Douglas Henderson
- 2003
- The Journal of Chemical Physics
PaperPhysical cluster free energy from liquid-state perturbation theory
- Farid F. Abraham
- Jong K. Lee
- et al.
- 2003
- The Journal of Chemical Physics
Paper