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Calculation of NMR and EPR Parameters

Limba englezăengleză
Carte Copertă tare
Carte Calculation of NMR and EPR Parameters M. Kaupp
Codul Libristo: 01550324
Editura Wiley-VCH Verlag GmbH, iunie 2004
Quantenchemische Methoden zur Berechnung von NMR- und EPR-Parametern: Jetzt übersichtlich und gut ve... Descrierea completă
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Quantenchemische Methoden zur Berechnung von NMR- und EPR-Parametern: Jetzt übersichtlich und gut vergleichbar dargestellt in einem Band! Neben theoretischen Grundlagen, methodischen Erwägungen und Benchmark-Ergebnissen finden Sie hier eine Fülle von Anwendungsbeispielen unter anderem aus der Biochemie und bioanorganischen Chemie. Diskutiert werden Resultate an verschiedenen interessanten Substanzklassen wie Fullerenen, Zeolithen und Übergangsmetallkomplexen.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.

Informații despre carte

Titlu complet Calculation of NMR and EPR Parameters
Limba engleză
Legare Carte - Copertă tare
Data publicării 2004
Număr pagini 621
EAN 9783527307791
ISBN 3527307796
Codul Libristo 01550324
Greutatea 1112
Dimensiuni 179 x 245 x 40
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