Convergence of the density functional one-centre expansion for the molecular continuum: N2 and (CH3)3N M. StenerG. De AltiP. Decleva Regular article Pages: 247 - 256
Theoretical investigation of the GaF molecule and its positive ion Yuji MochizukiKiyoshi Tanaka Regular article Pages: 257 - 261
Molecular fragment approach to the study of pyrrole oligomers and polypyrrole Renato ColleRaffaele MontagnaniOriano Salvetti Regular article Pages: 262 - 268
Determination of a set of parameters for the molecular modelling of phosphorothioate DNA H. O. BertrandA. PullmanS. Fermandjian Regular article Pages: 269 - 273
Conformational free energy surface of the linear DPDPE peptide: cost of pre-organization for disulfide bond formation Yan WangKrzysztof Kuczera Regular article Pages: 274 - 281
Degenerate symmetry-adapted perturbation theory of weak interactions between closed- and open-shell monomers: application to Rydberg states of helium hydride Tatiana KoronaBogumil JeziorskiGeerd H. F. Diercksen Regular article Pages: 282 - 291
Theoretical spectroscopic constants of the GaN molecule Yuji MochizukiKiyoshi Tanaka Regular article Pages: 292 - 296
Electric and magnetic multipole integrals in STO basis sets: an analytical approach Michael E. BeckGeorg Hohlneicher Regular article Pages: 297 - 308