Theoretical study on structures and stability of HC2P isomers Yi-hong DingZe-sheng LiChia-chung Sun Regular article Pages: 253 - 265
Density functional theory gas- and solution-phase study of nucleophilic substitution at di- and trisulfides Steven M. BachrachJoseph M. HayesJustin L. Mynar Regular article Pages: 266 - 271
Band structure representations of the electronic structure of one-dimensional materials with helical symmetry Wingfield V. GlasseyRoald Hoffmann Regular article Pages: 272 - 281
Dipole–reaction field interaction model for the solvent reorganization energy and its application to the benzoquinone–benzoquinone anion radical system Xiang-Yuan LiQuan ZhuFeng Liu Regular article Pages: 282 - 290
Some thoughts about the stability and reliability of commonly used exchange–correlation functionals – coverage of dynamic and nondynamic correlation effects Victor PoloElfi KrakaDieter Cremer Regular article Pages: 291 - 303
Using the locality of the small-component density in molecular Dirac–Hartree-Fock calculations G. Theodoor de JongLucas Visscher Regular article Pages: 304 - 308
MnO+: a challenge for density functional theory methods Charles W. Bauschlicher Jr.G. L. Gutsev Regular article Pages: 309 - 312
Multireference perturbation configuration interaction V. Third-order energy contributions in the Møller–Plesset and Epstein–Nesbet partitions Celestino AngeliRenzo Cimiraglia Regular article Pages: 313 - 317
Fully relativistic correlated benchmark results for uranyl and a critical look at relativistic effective core potentials for uranium W.A. de JongR.J. HarrisonD.A. Dixon Erratum Pages: 318 - 318