Theoretical aspects of indirect spin–spin couplings
Published:12 May 2015
The most important works concerning the calculations of indirect spin–spin coupling constants and their application to structural analysis have been reviewed. The survey covers the period from June 2013 to May 2014. Materials have been classified into a few chapters concerning in turn compounds exhibiting conformational or rotational flexibility, indirect spin–spin couplings via pnicogen and hydrogen bonds, through-space interactions, new methods, reviews and benchmark calculations, and finally various topics difficult to classify. The survey was ended with an index of couplings and a list of 82 references. The survey includes calculation methods, basis sets, and software used for the calculations. Most of reported works concern organic molecules.