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By Gertz Likhtenshtein, Jun Yamauchi, Shin'ichi Nakatsuji, Alex I. Smirnov, Rui Tamura

This is often the 1st ebook to give the required quantum chemical equipment for either resonance forms in a single convenient quantity, emphasizing the the most important interrelation among NMR and EPR parameters from a computational and theoretical standpoint.

the following, readers are given a huge review of the entire pertinent themes, reminiscent of easy concept, methodic issues, benchmark effects and functions for either spectroscopy equipment 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 via top specialists in a given quarter, yet with a much broader viewers in brain.

the result's the normal reference at the subject, serving as a consultant to the simplest computational equipment for any given challenge, and is hence an crucial device for scientists utilizing quantum chemical calculations of NMR and EPR parameters.

essential for all chemists, physicists, biologists and fabrics scientists who desire to increase their examine by way of quantum chemical calculations of magnetic resonance info, yet who're no longer inevitably experts in those tools or their purposes. in addition, experts in a single of the subdomains of this huge box should be thankful to discover right here an outline of what lies past their very own sector of concentration.

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