A priori rate constants for kinetic modeling R. SumathiWilliam H. Green Jr. Feature article Pages: 187 - 213
Electron-pairing analysis from localization and delocalization indices in the framework of the atoms-in-molecules theory Xavier FraderaJordi PoaterMiquel Solà Feature article Pages: 214 - 224
Two new symmetry-adapted perturbation theories for the calculation of intermolecular interaction energies William H. Adams Regular article Pages: 225 - 231
Density functional theory study of the mechanism of the proline-catalyzed intermolecular aldol reaction Manuel ArnóLuis R. Domingo Regular article Pages: 232 - 239
An ab initio study of NMR chemical shifts and spin-spin coupling constants of bicyclobutane Michal JaszuńskiGrigory DolgonosHelena Dodziuk Regular article Pages: 240 - 245
On the relation between a common gauge origin formulation and the GIAO formulation of the NMR shielding tensor Georg Schreckenbach Regular article Pages: 246 - 253