Download E-books Calculation of NMR and EPR Parameters: Theory and Applications PDF
This can be the 1st publication to offer the required quantum chemical tools for either resonance kinds in a single convenient quantity, emphasizing the an important interrelation among NMR and EPR parameters from a computational and theoretical element of view.
right here, readers are given a extensive assessment of all of the pertinent issues, resembling simple thought, methodic concerns, benchmark effects and functions for either spectroscopy equipment in such fields as biochemistry, bioinorganic chemistry in addition to with various substance periods, together with fullerenes, zeolites and transition steel compounds. The chapters were written by way of prime specialists in a given region, yet with a much wider viewers in mind.
the result's the traditional reference at the subject, serving as a consultant to the easiest computational tools for any given challenge, and is hence an crucial instrument 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 study by way of quantum chemical calculations of magnetic resonance facts, yet who're now not inevitably experts in those tools or their functions. moreover, experts in a single of the subdomains of this huge box could be thankful to discover right here an outline of what lies past their very own zone of concentration.
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