Download PDF by Kaupp M. (ed.), Bühl M. (ed.), Malkin V.G.: Calculation of NMR and EPR Parameters - Theory and

By Kaupp M. (ed.), Bühl M. (ed.), Malkin V.G.

ISBN-10: 0470847840

ISBN-13: 9780470847848

This can be the 1st publication to provide the required quantum chemical tools for either resonance varieties in a single convenient quantity, emphasizing the the most important interrelation among NMR and EPR parameters from a computational and theoretical element of view.Here, readers are given a wide review of the entire pertinent subject matters, reminiscent of easy thought, methodic issues, benchmark effects and functions for either spectroscopy equipment in such fields as biochemistry, bioinorganic chemistry in addition to with assorted substance sessions, together with fullerenes, zeolites and transition steel compounds. The chapters were written via prime specialists in a given zone, 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 tools for any given challenge, and is therefore an crucial software 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 through quantum chemical calculations of magnetic resonance info, yet who're now not inevitably experts in those tools or their functions. moreover, experts in a single of the subdomains of this large box should be thankful to discover the following an outline of what lies past their very own zone of concentration.

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Download PDF by Kaupp M. (ed.), Bühl M. (ed.), Malkin V.G.: Calculation of NMR and EPR Parameters - Theory and

This can be the 1st booklet to offer the mandatory quantum chemical tools for either resonance forms in a single convenient quantity, emphasizing the an important interrelation among NMR and EPR parameters from a computational and theoretical perspective. the following, readers are given a wide evaluate of all of the pertinent themes, akin to easy thought, methodic issues, benchmark effects and functions for either spectroscopy equipment in such fields as biochemistry, bioinorganic chemistry in addition to with diverse substance periods, together with fullerenes, zeolites and transition steel compounds.

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