Table 4.

Numerical results of the two total energy partition schemes using Ng₂ and fullerene in vacuum as the references for the nine Ng₂-fullerene systems studied in this work.

Ng2	Fullerene	ΔE	ΔTs	ΔExc	ΔEe	ΔEs	ΔEq
He2	C50	0.44	−73.19	−11.90	85.57	−357.75	272.66
He2	C60	−3.66	−56.13	−7.91	60.37	−270.58	206.54
He2	C70	−7.33	−47.92	−5.54	46.09	−205.288	151.82
Ne2	C50	14.04	−184.03	−15.31	213.37	−709.51	510.17
Ne2	C60	−2.50	−125.76	−12.07	135.38	−531.19	393.36
Ne2	C70	−15.28	−62.23	−11.40	58.32	−379.22	305.59
Ar2	C50	202.08	−356.45	−11.79	570.33	−1018.14	649.90
Ar2	C60	97.83	−241.92	−27.79	367.51	−916.08	646.36
Ar2	C70	0.77	−142.95	−43.29	187.01	−838.78	652.54

Units in kcal/mol.