To quantify these changes, we compute the total volume of NCI isosurfaces (V NCI ) using the NCImilano software . The ratio γ = V PBE+MBD NCI /V PBE NCI provides a metric relecting the relative enhancement of interaction regions. We used s iso = 0.5 for all systems and found minimal variation in γ within the typical NCI range of s iso = 0.4 -0.6, leaving overall trends unchanged (see Figure ). The results for the S12L and L7+ datasets in Figure show substantial increases in NCI volumes across all systems. The largest enhancement is found in alkane chains (CBH, γ = 3.23), consistent with vdW-driven interactions, while the smallest change occurs in the benzene dimer (γ = 1.95). The γ ratio shows a weak dependence on system size, increasing only slightly from 1.95 to 2.14 in the C1-C4 sequence of PAHs. On the other hand, γ is sensitive to interaction type, with non-vdW systems like water and formic acid dimers or bicyclo[2.2.2]octene (steric repulsion) exhibiting γ values close to 1. This highlights the method's ability to distinguish vdW-driven (γ = 2 -3) from non-vdW (γ ∼ 1) interactions.