Calculation of NMR and EPR Parameters: Theory and Applications

Calculation of NMR and EPR Parameters: Theory and Applications

Editor(s): Martin Kaupp, Michael Bühl, Vladimir G. Malkin

Print ISBN: 9783527307791

Online ISBN: 9783527601677

DOI: 10.1002/3527601678

Author Biography

About the Author

Martin Kaupp is Professor at the Institut für Anorganische Chemie at Universität Würzburg. He was born in Stuttgart and studied chemistry in Stuttgart and Cincinnati, before carrying out his PhD thesis in Erlangen. After postdoctoral work at Max-Planck-Institut für Festkörperforschung in Stuttgart and at Université de Montréal, Canada, he completed his habilitation in Theoretical Chemistry in Stuttgart, before moving to Würzburg in November 1999. His wide research interests include development and applications of quantum chemical methods to calculate NMR and EPR parameters, density functional theory, relativistic effects, bioradicals, and various aspects of computational bioinorganic, inorganic, and organometallic chemistry.

Michael Bühl is Research Associate in the Theoretical Department of the Max-Planck-Institut für Kohlenforschung in Mülheim/Ruhr (Germany) and lecturer at the University of Wuppertal. He was born in Würzburg and did his studies in Erlangen including his thesis. He was a post-doctoral fellow at the University of Georgia, Athens, GA (USA), then pursued his habilitation at the University of Zürich, before moving as a Heisenberg fellow to the MPI in Mülheim in 1999. He is interested in computational chemistry and applications to transition metal complexes, NMR parameters, and catalysis.

Vladimir G. Malkin is a Leading Research Scientist at the Institute of Inorganic Chemistry of the Slovak Academy of Sciences (Bratislava, Slovak Republic). He was born in Russia and carried out his studies of Physics in the Novosibirsk). He was an Alexander von Humboldt fellow at the Ruhr-Universität Bochum, Germany before he was working at the Université de Montréal, Canada. His major interests include development of quantum-chemical methods for non-relativistic and relativistic calculation of NMR and EPR parameters using Density Functional theory as well as new general approaches in quantum chemistry.