By Kaupp M. (ed.), Bühl M. (ed.), Malkin V.G.
This is often the 1st e-book to offer the required quantum chemical tools for either resonance kinds in a single convenient quantity, emphasizing the the most important interrelation among NMR and EPR parameters from a computational and theoretical aspect of view.Here, readers are given a wide evaluation of all of the pertinent issues, reminiscent of easy idea, methodic concerns, benchmark effects and purposes for either spectroscopy tools in such fields as biochemistry, bioinorganic chemistry in addition to with diverse substance sessions, together with fullerenes, zeolites and transition steel compounds. The chapters were written through top specialists in a given region, yet with a much broader viewers in mind.The result's the traditional reference at the subject, serving as a advisor to the easiest computational equipment for any given challenge, and is therefore an essential device for scientists utilizing quantum chemical calculations of NMR and EPR parameters.A must-have for all chemists, physicists, biologists and fabrics scientists who desire to increase their examine by way of quantum chemical calculations of magnetic resonance facts, yet who're now not unavoidably experts in those tools or their purposes. in addition, experts in a single of the subdomains of this broad box could be thankful to discover right here an outline of what lies past their very own zone of concentration.
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Extra info for Calculation of NMR and EPR Parameters - Theory and Application
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