Dual propagation inversion of truncated signals David K. HoffmanHongzhen ZhangEli Pollak Regular Article Pages: 173 - 181
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 HeZhi HeDieter Cremer Regular article Pages: 182 - 196
A quantum chemical study of the mechanism of manganese catalase Per E. M. Siegbahn Regular article Pages: 197 - 206
Transition structure selectivity in enzyme catalysis: a QM/MM study of chorismate mutase Sergio MartíJuan AndrésJuan Bertrán Regular article Pages: 207 - 212
Some fundamental problems with zero flux partitioning of electron densities Patrick Cassam-ChenaïDylan Jayatilaka Regular article Pages: 213 - 218
Quasirelativistic valence ab initio calculation of the potential-energy curves for Cd–rare gas atom pairs E. CzuchajM. KrośnickiH. Stoll Regular article Pages: 219 - 226
A systematic theoretical investigation of the valence excited states of the diatomic molecules B2, C2, N2 and O2 Thomas MüllerMichal DallosPéter G. Szalay Regular article Pages: 227 - 243
A reexamination of virial coefficients of the Lennard-Jones fluid Kippi M. DyerJohn S. PerkynsB. Montgomery Pettitt Regular article Pages: 244 - 251
Relativistic Gaussian basis sets for the elements K – Uuo Knut Faegri Jr Regular article Pages: 252 - 258
Multireference perturbation CI IV. Selection procedure for one-electron properties Celestino AngeliRenzo Cimiraglia Regular article Pages: 259 - 264