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
Publications
954 results at The Journal of Chemical Physics
Near infrared absorption spectrum of HO2
- H.E. Hunziker
- H.R. Wendt
- 2003
- The Journal of Chemical Physics
On the SCF-LCAO-MO and the SCF-Xa-SW approximations: Computation of the barrier to internal rotation for ethane
- E. Clementi
- H. Kistenmacher
- et al.
- 2003
- The Journal of Chemical Physics
Analytical Hartree-Fock wavefunctions for the neutral atoms from helium to xenon
- Carla Roetti
- Enrico Clementi
- 2003
- The Journal of Chemical Physics
CHarge transfer equilibria in TTF-TCNQ solutions
- Y. Tomkiewicz
- J.B. Torrance
- et al.
- 2003
- The Journal of Chemical Physics
Ionic and covalent electronic states for K adsorbed on Cu5 and Cu25 cluster models of the Cu(100) surface
- Paul S. Bagus
- Gianfranco Pacchioni
- 1995
- The Journal of Chemical Physics
Electrostatic decoupling of periodic images of plane-wave-expanded densities and derived atomic point charges
- P.E. Blöchl
- 1995
- The Journal of Chemical Physics
Quantum-state-specific dynamics of the dissociative adsorption and associative desorption of H2 at a Cu(111) surface
- C.T. Rettner
- H.A. Michelsen
- et al.
- 1995
- The Journal of Chemical Physics
Collision dynamics for an asymmetric top rotor and a linear rotor: Coupled channel formalism and application to H2O-H2
- Timothy R. Phillips
- Sergio Maluendes
- et al.
- 1995
- The Journal of Chemical Physics
Hydrogen on polycrystalline diamond films: Studies of isothermal desorption and atomic deuterium abstraction
- D.D. Koleske
- S. Gates
- et al.
- 1995
- The Journal of Chemical Physics