Calculation of NMR and EPR Parameters
Calculation of NMR and EPR Parameters: Theory and Applications Martin Kaupp (Editor), Michael Bühl (Editor), Vladimir G. Malkin (Editor)
Publisher: Wiley-VCH
ISBN: 3527307796
DDC: 543.66
Edition: Hardcover; 2004-08-20
Summary:
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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