1. Accurate partial atomic charges for high-energy molecules using class IV charge models with the MIDI! basis set

   • C. P. Kelly
   • C. J. Cramer
   • D. G. Truhlar

   OriginalPaper 27 January 2005 Pages: 133 - 151

2. Towards a complete basis set limit of Hartree–Fock method: correlation-consistent versus polarized-consistent basis sets

   • Shant Shahbazian
   • Mansour Zahedi

   OriginalPaper 02 April 2005 Pages: 152 - 160

3. Hydrogen bonding motif in 2-hydroxy-1,4-naphthoquinone

   • N. R. Dhumal
   • A. V. Todkary
   • S. P. Gejji

   OriginalPaper 29 January 2005 Pages: 161 - 166

4. Molecular electrostatic potentials and electron densities in azatriprismanes and nitroazatriprismanes

   • S. P. Gejji
   • K. A. Joshi

   OriginalPaper 29 January 2005 Pages: 167 - 177

5. Monte Carlo simulation of polarizable systems: Early rejection scheme for improving the performance of adiabatic nuclear and electronic sampling Monte Carlo simulations

   • Milton Medeiros

   OriginalPaper 28 January 2005 Pages: 178 - 182

6. Average electron momenta in many-electron atoms

   • T. Koga

   OriginalPaper 29 January 2005 Pages: 183 - 186

7. On the accuracy of numerical Hartree–Fock energies

   • Frank Jensen

   OriginalPaper 28 January 2005 Pages: 187 - 190

8. Self-interaction correction and isotropic hyperfine parameter of light atoms

   • Diana Guenzburger
   • D.E. Ellis
   • Joice Terra

   OriginalPaper 18 March 2005 Pages: 191 - 196