| 1 |
2(1)P state of Be from exponentially correlated Gaussian functions
Komasa J, Rychlewski J
Chemical Physics Letters, 342(1-2), 185, 2001 |
| 2 |
Effects of substituting a OH group by a F atom in D-glucose. Ab initio and DFT analysis
Hoffmann M, Rychlewski J
Journal of the American Chemical Society, 123(10), 2308, 2001 |
| 3 |
Mechanism of activation of an immunosuppressive drug: Azathioprine. Quantum chemical study on the reaction of azathioprine with cysteine
Hoffmann M, Rychlewski J, Chrzanowska M, Hermann T
Journal of the American Chemical Society, 123(26), 6404, 2001 |
| 4 |
Topology of electron correlation in the b(3)Sigma(+)(u) state of the H-2 molecule
Cioslowski J, Liu GH, Rychlewski J, Cencek W, Komasa J
Chemical Physics Letters, 319(5-6), 542, 2000 |
| 5 |
Benchmark calculations for He-2(+) and LiH molecules using explicitly correlated Gaussian functions
Cencek W, Rychlewski J
Chemical Physics Letters, 320(5-6), 549, 2000 |
| 6 |
Topology of electron-electron interactions in atoms and molecules. III. Morphology of electron intracule density in two (1)Sigma(+)(g) states of the hydrogen molecule
Cioslowski J, Liu GH, Rychlewski J, Cencek W, Komasa J
Journal of Chemical Physics, 111(8), 3401, 1999 |
| 7 |
Effects of substitution of OH group by F atom for conformational preferences of fluorine-substituted analogues of (R,R)-tartaric acid, its dimethyl diester, diamide, and N,N,N',N'-tetramethyl diamide. Ab initio conformational analysis
Hoffmann M, Rychlewski J, Rychlewska U
Journal of the American Chemical Society, 121(9), 1912, 1999 |
| 8 |
Sub-microhartree accuracy potential energy surface for H-3(+) including adiabatic and relativistic effects. I. Calculation of the potential points
Cencek W, Rychlewski J, Jaquet R, Kutzelnigg W
Journal of Chemical Physics, 108(7), 2831, 1998 |
| 9 |
Sub-microhartree accuracy potential energy surface for H-3(+) including adiabatic and relativistic effects. II. Rovibrational analysis for H-3(+) and D-3(+)
Jaquet R, Cencek W, Kutzelnigg W, Rychlewski J
Journal of Chemical Physics, 108(7), 2837, 1998 |
| 10 |
Many-Electron Explicitly Correlated Gaussian Functions .2. Ground-State of the Helium Molecular Ion He-2(+)
Cencek W, Rychlewski J
Journal of Chemical Physics, 102(6), 2533, 1995 |
