NMR Spectroscopic Parameters: Theories and Models, Computational Codes and Calculations

NMR spectroscopy is one of the most useful tools to get reliable information about both the geometrical and the electronic structures of small-size (containing a few atoms) to large-size (containing thousands of atoms) molecules. It can also give information about subtle and intrinsic characteristics of those molecules or chemical processes in which the nuclei that resonate by NMR are involved. To get this information requires both the computation and theoretical analysis of the spectroscop...