About this product Product Information This is the first book to present the necessary quantum chemicalmethods for both resonance types in one handy volume, emphasizingthe crucial interrelation between NMR and EPR parameters from acomputational and theoretical point of view. Here, readers are given a broad overview of all the pertinenttopics, such as basic theory, methodic considerations, benchmarkresults and applications for both spectroscopy methods in suchfields as biochemistry, bioinorganic chemistry as well as withdifferent substance classes, including fullerenes, zeolites andtransition metal compounds.
The chapters have been written byleading experts in a given area, but with a wider audience inmind. The result is the standard reference on the topic, serving as aguide to the best computational methods for any given problem, andis thus an indispensable tool for scientists using quantum chemicalcalculations of NMR and EPR parameters. A must-have for all chemists, physicists, biologists and materialsscientists who wish to augment their research by quantum chemicalcalculations of magnetic resonance data, but who are notnecessarily specialists in these methods or their applications.
Calculation of NMR and EPR Parameters: Theory and Application
Furthermore, specialists in one of the subdomains of this widefield will be grateful to find here an overview of what lies beyondtheir own area of focus. Additional Product Features Dewey Edition. List of Contributors. Kaupp, et al. Theory of NMR Parameters. From Ramsey to Relativity, P. Vaara, et al. Calculation of Heavy-Nucleus Chemical Shifts. Relativistic All-Electron Methods J. Schwerdtfeger, et al.
Del Bene. Aromaticity Indices from Magnetic Shieldings Z.
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Click on the cover image above to read some pages of this book! This is the first book to present the necessary quantum chemical methods for both resonance types in one handy volume, emphasizing the crucial interrelation between NMR and EPR parameters from a computational and theoretical point of view.
The chapters have been written by leading experts in a given area, but with a wider audience in mind. 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. Help Centre.
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Calculation of NMR and EPR Parameters : Theory and Applications by Martin Kaupp (2004, Hardcover)
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