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. 2016 Mar 29;7(7):4503–4518. doi: 10.1039/c6sc00529b

Table 2. Polarization and adsorption energy of CH4@catechol-(Mg/Ca) clusters. Units are given in kJ mol−1.

N th CH4 Cat-Mg Cat-Ca
ΔPOL ΔEads ΔPOL ΔEads
1 −49.9 −40.7 −19.9 −26.7
2 −33.6 −27.0 −17.6 −24.7
3 −17.9 −14.6 −16.0 −21.7
4 −1.0 −17.1 −16.4 −22.2