cached image

Bernd Arthur Heß, Ph.D.

Affiliations: 
Chemistry Rheinische Friedrich-Wilhelms-Universität Bonn, Bonn, Nordrhein-Westfalen, Germany 
Area:
Theoretical Chemistry
Website:
http://www.thch.uni-bonn.de/tc/groups/hess/
Google:
"Bernd Heß"
Mean distance: 11.2
 
SNBCP

Parents

Sign in to add mentor
Sigrid Doris Peyerimhoff grad student 1980 Universität Bonn
 (Ab-initio-Berechnung der Feinstruktur von Molekülen)

Children

Sign in to add trainee
Georg Jansen grad student 1988-1993 Universität Bonn
Peter Reinhardt grad student 1990-1995 Universität Bonn
Christof Hättig grad student 1992-1995 Universität Bonn
Arnim Grüneich grad student 1993-1996 Universität Bonn
Markus Reiher grad student 1999-2002 Universität Erlangen-Nürnberg
BETA: Related publications

Publications

You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect.

Lauderbach F, Prakash R, Götz AW, et al. (2007) Alternative synthesis, density functional calculations and proton reactivity study of a trinuclear [NiFe] hydrogenase model compound European Journal of Inorganic Chemistry. 3385-3393
Götz AW, Kollmar C, Hess BA. (2005) Optimization of auxiliary basis sets for the LEDO expansion and a projection technique for LEDO-DFT. Journal of Computational Chemistry. 26: 1242-53
Neese F, Wolf A, Fleig T, et al. (2005) Calculation of electric-field gradients based on higher-order generalized Douglas-Kroll transformations. The Journal of Chemical Physics. 122: 204107
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
Kirchner B, Reiher M, Hille A, et al. (2005) Car-Parrinello molecular dynamics study of the initial dinitrogen reduction step in Sellmann-type nitrogenase model complexes. Chemistry (Weinheim An Der Bergstrasse, Germany). 11: 574-83
Götz AW, Kollmar C, Hess BA. (2005) Analytical gradients for LEDO-DFT Molecular Physics. 103: 175-182
Moritz G, Reiher M, Hess BA. (2005) Analysis of spin states, spin barriers, and trans-effects involved in the coordination and stabilization of dinitrogen by biomimetic iron complexes Theoretical Chemistry Accounts. 114: 76-83
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
Sellmann D, Hille A, Heinemann FW, et al. (2004) Binding H2, N2, H-, and BH3 to transition-metal sulfur sites: synthesis and properties of [RuL(PR3)(N2Me2S2)] Complexes (L=eta2-H2, H-, BH3; R=Cy, iPr). Chemistry (Weinheim An Der Bergstrasse, Germany). 10: 4214-24
See more...