Perturbed structures generated using coordinates derived from compliance constants in internal vibrations for QTAIM dual functional analysis: Intrinsic dynamic nature of interactions

Perturbed structures for QTAIM dual functional analysis (QTAIM‐DFA) are proposed to generate using the coordinates corresponding to the compliance force constants in internal vibrations (CIV). In QTAIM‐DFA, total electron energy densities H b ( r c ) are plotted versus H b ( r c ) – V b ( r c )/2 at bond critical points (BCPs) of interactions in question, where V b ( r c ) are potential energy densities at BCPs. Each plot of an interaction based...