Bridging the gap between the topological and orbital description of hydrogen bonding: The case of the formic acid dimer and its sulfur derivatives

Several molecular descriptors based on topological approaches as well as on a more traditional orbital-based decomposition, used to assess relations with hydrogen bond strengths in a series of formic acid dimers and its sulfur derivatives. A study devoted to the description of hydrogen-bond interactions through the use of few molecular descriptors is performed.