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Theoretical aspects of indirect spin‐spin couplings

This review collects the most important works on the calculation and application of calculated indirect spin‐spin couplings in organic and inorganic chemistry. The survey covers the period from June 2011 to May 2012 (the last search of databases was performed at the end of June 2012). Most of the papers concern organic chemistry; some works are related to inorganic molecules, calculations in the solid state, theoretical methods, and benchmark calculations. All works have been roughly chaptered using the subject of the work as a criterion. The first chapter contains the papers related to the compounds exhibiting conformational or rotational flexibility. The second one collects the papers on compounds with pnicogen moieties and complexes between electron/proton donors and acceptors. The next two sections include the papers on compounds with hydrogen bonds and compounds exhibiting through space couplings; the subsequent sections collect the papers on new methods and benchmark calculations, and the works on the calculation including relativistic effects. The works difficult to categorize are gathered in the last section.

Print publication date: 21 Mar 2013
Copyright year: 2013
Print ISBN: 978-1-84973-577-3
PDF eISBN: 978-1-84973-767-8