Authors:
Hoffmann, M
Rychlewski, J
Chrzanowska, M
Hermann, T
Citation: M. Hoffmann et al., Mechanism of activation of an immunosuppressive drug: Azathioprine. Quantum chemical study on the reaction of azathioprine with cysteine, J AM CHEM S, 123(26), 2001, pp. 6404-6409
Citation: M. Hoffmann et J. Rychlewski, Effects of substituting a OH group by a F atom in D-glucose. Ab initio andDFT analysis, J AM CHEM S, 123(10), 2001, pp. 2308-2316
Citation: W. Cencek et J. Rychlewski, Benchmark calculations for He-2(+) and LiH molecules using explicitly correlated Gaussian functions, CHEM P LETT, 320(5-6), 2000, pp. 549-552
Citation: J. Cioslowski et al., Topology of electron correlation in the b(3)Sigma(+)(u) state of the H-2 molecule, CHEM P LETT, 319(5-6), 2000, pp. 542-546
Authors:
Rychlewska, U
Szarecka, A
Rychlewski, J
Motala, R
Citation: U. Rychlewska et al., A mediated hydrogen bond in an alpha-hydroxycarboxyl group: X-ray structure of (R,R)-N-methyltartramic acid monohydrate and an ab initio study of model systems, ACT CRYST B, 55, 1999, pp. 617-625
Citation: J. Cioslowski et al., 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, J CHEM PHYS, 111(8), 1999, pp. 3401-3409
Citation: J. Komasa et al., Adiabatic corrections of the helium dimer from exponentially correlated Gaussian functions, CHEM P LETT, 304(3-4), 1999, pp. 293-298
Citation: M. Hoffmann et al., 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, J AM CHEM S, 121(9), 1999, pp. 1912-1921