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Bernd Arthur Heß, Ph.D.

Chemistry Rheinische Friedrich-Wilhelms-Universität Bonn, Bonn, Nordrhein-Westfalen, Germany 
Theoretical Chemistry
"Bernd Heß"
Mean distance: 11.2


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Sigrid Doris Peyerimhoff grad student 1980 Universität Bonn
 (Ab-initio-Berechnung der Feinstruktur von Molekülen)
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Herrmann C, Reiher M, Hess BA. (2005) Comparative analysis of local spin definitions. The Journal of Chemical Physics. 122: 34102
Moritz G, Hess BA, Reiher M. (2005) Convergence behavior of the density-matrix renormalization group algorithm for optimized orbital orderings. The Journal of Chemical Physics. 122: 024107
Reiher M, Kirchner B, Hutter J, et al. (2004) A photochemical activation scheme of inert dinitrogen by dinuclear Ru(II) and Fe(II) complexes. Chemistry (Weinheim An Der Bergstrasse, Germany). 10: 4443-53
Wolf A, Reiher M, Hess BA. (2004) Correlated ab initio calculations of spectroscopic parameters of SnO within the framework of the higher-order generalized Douglas-Kroll transformation. The Journal of Chemical Physics. 120: 8624-31
Reiher M, Hess BA. (2002) A quantum-chemical study of dinitrogen reduction at mononuclear iron-sulfur complexes with hints to the mechanism of nitrogenase. Chemistry (Weinheim An Der Bergstrasse, Germany). 8: 5332-9
Reiher M, Salomon O, Sellmann D, et al. (2001) Dinuclear diazene iron and ruthenium complexes as models for studying nitrogenase activity. Chemistry (Weinheim An Der Bergstrasse, Germany). 7: 5195-202
Hättig C, Heß BA. (1998) TDMP2 calculation of dynamic multipole polarizabilities and dispersion coefficients for the halogen anions F-, Cl-, Br- and I- Journal of Chemical Physics. 108: 3863-3870
Grüneich A, Heß BA. (1998) Choosing GTO basis sets for periodic HF calculations Theoretical Chemistry Accounts. 100: 253-263
Reinhardt P, Causà M, Marian CM, et al. (1996) Adsorption of CO on TiO2 (110) studied by means of a cluster model surrounded by multipoles obtained from slab calculations Physical Review B - Condensed Matter and Materials Physics. 54: 14812-14821
Reinhardt P, Heß BA, Causá M. (1996) Electronic and geometrical structure of bulk rutile studied with Hartree-Fock and density functional methods International Journal of Quantum Chemistry. 58: 297-306
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