By Martin Kaupp, Michael B?hl, Vladimir G. Malkin
This is often the 1st e-book to give the required quantum chemical equipment for either resonance varieties in a single convenient quantity, emphasizing the an important interrelation among NMR and EPR parameters from a computational and theoretical element of view.Here, readers are given a vast assessment of the entire pertinent themes, reminiscent of simple idea, methodic issues, benchmark effects and purposes for either spectroscopy tools in such fields as biochemistry, bioinorganic chemistry in addition to with diversified substance sessions, together with fullerenes, zeolites and transition steel compounds. The chapters were written by way of top specialists in a given sector, yet with a much broader viewers in mind.The result's the normal reference at the subject, serving as a advisor to the easiest computational equipment for any given challenge, and is hence an vital 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 learn via quantum chemical calculations of magnetic resonance information, yet who're no longer unavoidably experts in those tools or their functions. additionally, experts in a single of the subdomains of this broad box might be thankful to discover right here an summary of what lies past their very own zone of concentration.
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Additional info for Calculation of NMR and EPR Parameters: Theory and Applications
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