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    Calculation of NMR and EPR Parameters Theory and Applications

     ISBN  3527307796
     Pages  621
     Publisher  John Wiley &
     Author(s)  Martin Kaupp, Michael B?hl, Vladimir G. Malkin,
     Release Date  August 20, 2004
     Hits  213

     Category  Chemistry

Calculation of NMR and EPR Parameters- Theory and Applications eBook


Review
"?does an admirable job of presenting snapshot pictures of specific topics...an excellent starting point?" (Journal of the American Chemical Society, July 12, 2006)

"This book is especially recommended to research universities that have active interest in magnetic resonance spectroscopy." (E-STREAMS, February 2005)

Book Description
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.
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.



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