Theoretical study of silicon–sulfur clusters (SiS2)n (n = 1–6) Su-Fan WangJi-Kang FengFan-Ao Kong Regular article Pages: 163 - 170
Theoretical study of the role of low-barrier hydrogen bonds in enzyme catalysis: a model of proton transfer in serine protease Yongho KimKwang-Hyun Ahn Regular article Pages: 171 - 177
Molecular integrals by numerical quadrature. I. Radial integration Roland LindhPer-Åke MalmqvistLaura Gagliardi Regular article Pages: 178 - 187
Ab-initio study on low-lying states of the TiSi molecule Mutsumi TomonariKiyoshi Tanaka Regular article Pages: 188 - 193
Study of association of 2-methoxyethanol in the aqueous phase Mohsen TafazzoliSafeallah Jalili Regular article Pages: 194 - 198
Electronic excitation of sulfur-organic compounds – performance of time-dependent density functional theory Jürgen Fabian Regular article Pages: 199 - 217
A density functional theory test study on the N2··· He dimer Mary C. SalazarJosé L. PazEduardo V. Ludeña Regular article Pages: 218 - 222
A quantitative measure of bond polarity from the electron localization function and the theory of atoms in molecules Stephan RaubGeorg Jansen Regular article Pages: 223 - 232
A study of DNA tethered to a surface by an all-atom molecular dynamics simulation Ka-Yiu WongB. Montgomery Pettitt Letter Pages: 233 - 235
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
