Perturbation theory for a mixture of hard spheres and square-well molecules
- Douglas Henderson
- 2003
- The Journal of Chemical Physics
Publications
954 results at 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
Monte Carlo simulation of physical clusters of water molecules
- Farid F. Abraham
- 2003
- The Journal of Chemical Physics
Analytical Hartree-Fock functions for positive ions from lithium to xenon
- Carla Roetti
- Enrico Clementi
- 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 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
Ab initio potential energy surface for linear H3
- B. Liu
- 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
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