Delocalization indices, as defined in the atoms in molecules theory, have been calculated
between hydrogen-bonded atoms in 20 molecular complexes that are formed between
several H-donor and acceptor molecules. In general, the delocalization index associated to
an intermolecular hydrogen bond depends on the interaction energy of the complex, but
also on the nature of the H-donor and acceptor atoms. The intermolecular delocalization
index appears to be strongly correlated to the orbital interaction energy term as obtained …