CDA

CDA (Charge Decompositional Analysis) has been devised to analyze chemical systems which can be described as donor-acceptor complexes. The electronic and energetic changes associated with the formation of a complex consisting of two fragments A and B are partitioned in terms of the familiar Dewar-Chatt-Duncanson model. The energy analysis is feasible within the Hartree-Fock approximation, while the charge decomposition analysis can also be carried out at correlated levels. Requires Gaussian output files.