| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
A quantum chemical study of the mechanism of manganese catalase
|
Siegbahn, Per E. M.
|
|
2000
|
105 |
3 |
p. 197-206
|
article
|
| 2 |
A reexamination of virial coefficients of the Lennard-Jones fluid
|
Dyer, Kippi M.
|
|
2000
|
105 |
3 |
p. 244-251
|
article
|
| 3 |
A systematic theoretical investigation of the valence excited states of the diatomic molecules B2, C2, N2 and O2
|
Müller, Thomas
|
|
2000
|
105 |
3 |
p. 227-243
|
article
|
| 4 |
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?
|
He, Yuan
|
|
2000
|
105 |
3 |
p. 182-196
|
article
|
| 5 |
Dual propagation inversion of truncated signals
|
Hoffman, David K.
|
|
2000
|
105 |
3 |
p. 173-181
|
article
|
| 6 |
Multireference perturbation CI IV. Selection procedure for one-electron properties
|
Angeli, Celestino
|
|
2000
|
105 |
3 |
p. 259-264
|
article
|
| 7 |
Quasirelativistic valence ab initio calculation of the potential-energy curves for Cd–rare gas atom pairs
|
Czuchaj, E.
|
|
2000
|
105 |
3 |
p. 219-226
|
article
|
| 8 |
Relativistic calculations on thallium hydride
|
Fægri Jr, Knut
|
|
2000
|
105 |
3 |
p. 265-267
|
article
|
| 9 |
Relativistic Gaussian basis sets for the elements K – Uuo
|
Faegri Jr, Knut
|
|
2000
|
105 |
3 |
p. 252-258
|
article
|
| 10 |
Some fundamental problems with zero flux partitioning of electron densities
|
Cassam-Chenaï, Patrick
|
|
2000
|
105 |
3 |
p. 213-218
|
article
|
| 11 |
Transition structure selectivity in enzyme catalysis: a QM/MM study of chorismate mutase
|
Martí, Sergio
|
|
2000
|
105 |
3 |
p. 207-212
|
article
|
Journal description