Based on this concept, we intuitively revealed the fundamental reasons behind the differences in the stability of various dimer configurations formed by H₂ and N₂ molecules. In this study, high-precision quantum chemical calculations determined the relative stabilities of five key N₂ dimer configurations, following the order Z ≥ T > X > H > L. The superposed ESP maps of the monomers for each configuration are shown in Fig. . As seen from the figure, the general trend is that the greater the overlap between the red and blue regions of the ESP maps, indicating stronger ESP complementarity, the more stable the corresponding configuration. For example, in the Z-configuration, which has the lowest electronic energy, there are two distinct regions where ESP signs are opposite, reflecting strong electrostatic attraction that significantly stabilizes this configuration. In contrast, the X-configuration exhibits both areas of ESP overlap with the same sign, indicating repulsion, and opposite signs, indicating attraction, resulting in a weak overall electrostatic stabilization. This explains why X is merely a metastable structure. Meanwhile, in the L-configuration, the ESP contour lines of both monomers overlap entirely with the same sign, leading to strong electrostatic repulsion. As a result, this configuration is highly unstable-not only does it have the highest energy among all configurations, but it is also not a true minimum on the potential energy surface. This study demonstrated that although the interaction between N₂ molecules is primarily driven by dispersion forces, as confirmed by energy decomposition analysis, electrostatic interactions still play a crucial role in determining the relative stabilities of different configurations. These effects can be effectively explained by simply visualizing the ESP complementarity of monomers.