Table 6. Comparison of the CO₂ Heat of Adsorption (kJ/mol) at Infinite Dilution^a.

method	MAD	MSD	Pearson	Spearman
(1) EQeq/ox/exp	4.649	–0.755	0.779	0.791
(2) FC-Qeq/exp+def2	5.933	–2.644	0.710	0.725
(3) I-Qeq/exp+def2	3.258	1.878	0.889	0.881
(4) PQeq/GMP	4.879	1.612	0.636	0.798
(5) PQeq/exp	5.651	0.061	0.591	0.722
(6) MEPO-Qeq	2.798	2.403	0.878	0.888
(7) AVG-Q	13.456	–12.574	0.558	0.549
(8) NO-Q	7.867	7.687	0.473	0.562

^aMean absolute deviation (MAD), mean signed deviation (MSD), and Pearson and Spearman coefficients are shown, with the reference being the value computed with DDEC charges.