1. Theoretical study on structures and stability of HC2P isomers

   • Yi-hong Ding
   • Ze-sheng Li
   • Chia-chung Sun

   Regular article Pages: 253 - 265

2. Density functional theory gas- and solution-phase study of nucleophilic substitution at di- and trisulfides

   • Steven M. Bachrach
   • Joseph M. Hayes
   • Justin L. Mynar

   Regular article Pages: 266 - 271

3. Band structure representations of the electronic structure of one-dimensional materials with helical symmetry

   • Wingfield V. Glassey
   • Roald Hoffmann

   Regular article Pages: 272 - 281

4. Dipole–reaction field interaction model for the solvent reorganization energy and its application to the benzoquinone–benzoquinone anion radical system

   • Xiang-Yuan Li
   • Quan Zhu
   • Feng Liu

   Regular article Pages: 282 - 290

5. Some thoughts about the stability and reliability of commonly used exchange–correlation functionals – coverage of dynamic and nondynamic correlation effects

   • Victor Polo
   • Elfi Kraka
   • Dieter Cremer

   Regular article Pages: 291 - 303

6. Using the locality of the small-component density in molecular Dirac–Hartree-Fock calculations

   • G. Theodoor de Jong
   • Lucas Visscher

   Regular article Pages: 304 - 308

7. MnO+: a challenge for density functional theory methods

   • Charles W. Bauschlicher Jr.
   • G. L. Gutsev

   Regular article Pages: 309 - 312

8. Multireference perturbation configuration interaction V. Third-order energy contributions in the Møller–Plesset and Epstein–Nesbet partitions

   • Celestino Angeli
   • Renzo Cimiraglia

   Regular article Pages: 313 - 317

9. Fully relativistic correlated benchmark results for uranyl and a critical look at relativistic effective core potentials for uranium

   • W.A. de Jong
   • R.J. Harrison
   • D.A. Dixon

   Erratum Pages: 318 - 318