Calculation of NMR and EPR parameters : theory and applications / [edited by] Martin Kaupp, Michael Bühl, Vladimir G. Malkin.

Includes bibliographical references and index.

Calculation of NMR and EPR Parameters; Contents; Foreword; List of Contributors; Part A Introductory Chapters; Part B NMR Parameters, Methodological Aspects; Part C NMR Parameters, Applications; Part D EPR Parameters, Methodological Aspects; Part E EPR Parameters, Applications; Index.

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 ha.

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