Table 6. Energy Decomposition Analysis (EDA) of the NTA-Ca and NTA-Mg clusters with CH₄. Values are in kJ mol⁻¹.

Nth CH4	NTA-ligand
	ΔFRZ	ΔPOL	ΔCT	ΔEads
1 (Mg)	−1.4	−14.8	−5.4	−20.4
1 (Ca)	−2.2	−9.7	−6.3	−17.4
2 (Ca)	−3.4	−8.1	−6.4	−17.0
3 (Ca)	−3.8	−9.1	−6.5	−18.2