Table 2.

Thermodynamic parameters associated to the formation of SMT-CD complexes. Semiempirical MINDO/3 method with TIP3P solvation model is applied. (ΔH [kJ mol⁻¹], ΔS [J K⁻¹ mol⁻¹]).

Host Specie	Host Simulated as	Guest’s Charges
		+1 (Cationic)		0 (Nonionic)		0 (Zwitterionic)		−1 (Anionic)
		ΔH	ΔS	ΔH	ΔS	ΔH	ΔS	ΔH	ΔS
BCD	0 BCD	16.3	93.0	9.3	78.2	5.4	68.4	−3.7	47.5
RAMEB	−1 BCD	19.1	105.4	14.3	99.7	−8.7	35.2	−9.4	26.4