1. Theoretical study of silicon–sulfur clusters (SiS2)n (n = 1–6)

   • Su-Fan Wang
   • Ji-Kang Feng
   • Fan-Ao Kong

   Regular article Pages: 163 - 170

2. Theoretical study of the role of low-barrier hydrogen bonds in enzyme catalysis: a model of proton transfer in serine protease

   • Yongho Kim
   • Kwang-Hyun Ahn

   Regular article Pages: 171 - 177

3. Molecular integrals by numerical quadrature. I. Radial integration

   • Roland Lindh
   • Per-Åke Malmqvist
   • Laura Gagliardi

   Regular article Pages: 178 - 187

4. Ab-initio study on low-lying states of the TiSi molecule

   • Mutsumi Tomonari
   • Kiyoshi Tanaka

   Regular article Pages: 188 - 193

5. Study of association of 2-methoxyethanol in the aqueous phase

   • Mohsen Tafazzoli
   • Safeallah Jalili

   Regular article Pages: 194 - 198

6. Electronic excitation of sulfur-organic compounds – performance of time-dependent density functional theory

   • Jürgen Fabian

   Regular article Pages: 199 - 217

7. A density functional theory test study on the N2··· He dimer

   • Mary C. Salazar
   • José L. Paz
   • Eduardo V. Ludeña

   Regular article Pages: 218 - 222

8. A quantitative measure of bond polarity from the electron localization function and the theory of atoms in molecules

   • Stephan Raub
   • Georg Jansen

   Regular article Pages: 223 - 232

9. A study of DNA tethered to a surface by an all-atom molecular dynamics simulation

   • Ka-Yiu Wong
   • B. Montgomery Pettitt

   Letter Pages: 233 - 235

10. Hyperspherical harmonics and generalized Sturmians (Progress in theoretical chemistry and physics), John S. Avery, Kluwer, Dordrecht, 1999, ISBN 0–792–36087–7

    • Vincenzo Aquilanti

    Book review Pages: 236 - 236