1. Dual propagation inversion of truncated signals

   • David K. Hoffman
   • Hongzhen Zhang
   • Eli Pollak

   Regular Article Pages: 173 - 181

2. Comparison of CCSDT-n methods with coupled-cluster theory with single and double excitations and coupled-cluster theory with single, double, and triple excitations in terms of many-body perturbation theory – what is the most effective triple-excitation method?

   • Yuan He
   • Zhi He
   • Dieter Cremer

   Regular article Pages: 182 - 196

3. A quantum chemical study of the mechanism of manganese catalase

   • Per E. M. Siegbahn

   Regular article Pages: 197 - 206

4. Transition structure selectivity in enzyme catalysis: a QM/MM study of chorismate mutase

   • Sergio Martí
   • Juan Andrés
   • Juan Bertrán

   Regular article Pages: 207 - 212

5. Some fundamental problems with zero flux partitioning of electron densities

   • Patrick Cassam-Chenaï
   • Dylan Jayatilaka

   Regular article Pages: 213 - 218

6. Quasirelativistic valence ab initio calculation of the potential-energy curves for Cd–rare gas atom pairs

   • E. Czuchaj
   • M. Krośnicki
   • H. Stoll

   Regular article Pages: 219 - 226

7. A systematic theoretical investigation of the valence excited states of the diatomic molecules B2, C2, N2 and O2

   • Thomas Müller
   • Michal Dallos
   • Péter G. Szalay

   Regular article Pages: 227 - 243

8. A reexamination of virial coefficients of the Lennard-Jones fluid

   • Kippi M. Dyer
   • John S. Perkyns
   • B. Montgomery Pettitt

   Regular article Pages: 244 - 251

9. Relativistic Gaussian basis sets for the elements K – Uuo

   • Knut Faegri Jr

   Regular article Pages: 252 - 258

10. Multireference perturbation CI IV. Selection procedure for one-electron properties

    • Celestino Angeli
    • Renzo Cimiraglia

    Regular article Pages: 259 - 264

11. Relativistic calculations on thallium hydride

    • Knut Fægri Jr
    • Lucas Visscher

    Letter Pages: 265 - 267