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Spin Orbit and Vibronic Effects in Open Shell Molecules: The Link between Theory and Experiment

, , , , and . Interactions in molecules: Electronic and steric effects, Abschlussbericht des SFB 334, DFG, (2003)

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Relativistic ab-initio calculations on PdH and PdD: The rovibronic spectra and rotational splittings, and . J. Chem. Phys., (1998)Calculation of potential energy curves for Rb$_2$ including relativistic effects, , and . Mol. Phys., (2003)Fine and Hyperfine Structure: Spin Properties of Molecules. Problem Solving in Computational Molecular Science, Kluwer Academic Publishers, Dordrecht, The Netherlands, (1997)Synthese, Kristallstruktur und spektroskopische Charakterisierung von Tetraphosphorhexaoxid-monoselenid, P4O6Se, , , and . Zeitschrift f�r anorganische und allgemeine Chemie, 621 (12): 2065--2069 (December 1995)Theoretische Spektroskopie zweiatomiger Über\-gangs\-me\-tall\-ver\-bin\-dun\-gen. Habilitationsschrift, University of Bonn, (1991)Relativistic Effects in the Calculation of Electronic Energies, and . Computational Molecular Spectroscopy, , John Wiley & Sons, Sussex, , (1999)Spin-Free Relativistic No-Pair ab initio Core Model Potentials and Valence Basis Sets for the Transition Metal Elements Sc to Hg, , , and . J. Chem. Phys., (1998, eingereicht)Spinor optimization for a relativistic spin--dependent CASSCF program, , and . Theoret. Chem. Acc., (1997)Reactions in the initial stage of the CVD of BN-a quantum chemical investigation, , and . Phys. Chem. Chem. Phys., (2000)The generalized active space concept for the relativistic treatment of electron correlation. I. Kramers-restricted two-component configuration interaction, , and . J. Chem. Phys., (2001)