Table 2.

Energy (kJ/mol) decomposition analysis of DOX-hexakis dimer complexes with B3LYP-D/DZP level of theory.

Model	ΔEelect	ΔEorb	ΔEdis	ΔEPauli	ΔEint
Inside complexes	− 60.02	− 40.64	− 76.23	95.09	− 81.98
	− 55.90*	− 36.40*	− 72.15*	92.16*	− 72.29*
Outside complexes	− 63.68	− 42.18	− 79.21	97.42	− 87.66
	− 61.92*	− 39.74*	− 75.68*	93.96*	− 83.38*

*In water solvent.