Role of dG/dw and dV/dw in AIM Analysis: An Approach to the Nature of Weak to Strong Interactions

Role of dGb(rc)/dw and dVb(rc)/dw is revealed as the basic atoms-in-molecules (AIM) functions to evaluate, classify, and understand the nature of interactions, as well as Gb(rc) and Vb(rc). The border area between van der Waals (vdW) adducts and hydrogen-bonded (HB) adducts is shown to appear at around dGb(rc)/dw = −dVb(rc)/dw and that between molecular complexes (MC) and trigonal bipyramidal adducts (TBP) of chalcogenide dihalides appears at...