Calculated adsorption energies (E_ads, kcal mol⁻¹), charge-transfer (Q_CT, |e|) and desorption times (τ, s) per adsorbed 5FU molecule on AM/C₆₀ fullerenes in the aqueous phase.

Species	E solv	E ads	Q CT	τ
Li/C60	−30.70	−13.73	0.14	1.17 × 10−2
Na/C60	−35.20	−9.24	0.11	5.97 × 10−6
K/C60	−35.90	−8.50	0.05	1.71 × 10−6
Li12/C60	−11.74	−10.85	0.11	9.06 × 10−5
Na6/C60	−23.87	−8.10	0.05	8.71 × 10−7
K6/C60	−24.58	−6.88	0.03	1.11 × 10−7