Calculation of NMR and EPR Parameters: Theory and Applications
Language: English
Published by Wiley-VCH, 2004
- Hardcover
- Used
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621 Seiten; 9783527307791.3 Gewicht in Gramm: 2.
Seller Inventory # 1123924
- Title
- Calculation of NMR and EPR Parameters: Theory and Applications
- Author
- Kaupp, Martin, G. Malkin Vladimir and Michael Bühl:
- Publisher
- Wiley-VCH
- Publication year
- 2004
- Condition
- Gut
- Binding
- hardcover
- Language
- English
- ISBN 10
- 3527307796
- ISBN 13
- 9783527307791
- Item weight
- 2 grams
- Seller catalogs
- Varia
Here, readers are given a broad overview of all the pertinent topics, such as basic theory, methodic considerations, benchmark results and applications for both spectroscopy methods in such fields as biochemistry, bioinorganic chemistry as well as with different substance classes, including fullerenes, zeolites and transition metal compounds. The chapters have been written by leading experts in a given area, but with a wider audience in mind.
The result is the standard reference on the topic, serving as a guide to the best computational methods for any given problem, and is thus an indispensable tool for scientists using quantum chemical calculations of NMR and EPR parameters.
A must-have for all chemists, physicists, biologists and materials scientists who wish to augment their research by quantum chemical calculations of magnetic resonance data, but who are not necessarily specialists in these methods or their applications. Furthermore, specialists in one of the subdomains of this wide field will be grateful to find here an overview of what lies beyond their own area of focus.
"Synopsis" may belong to another edition of this title.
About the Author
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.
"About the title" may belong to another edition of this title.
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