Table 2. Calculated binding energies (E), heats of formations (ΔH_f), and estimated hydrogen bond energies (ΔΔH_f) (kcal/mol).

Solvent	E/(kcal/mol)	ΔHf/(kcal/mol)	ΔΔHf/(kcal/mol)
TPAH	−3784.96	−50.76
TBAH	−4907.84	−73.27
1-Butanol	−1330.63	−66.49
2-Butanol	−1330.86	−66.72
2-Methyl-2-Propanol	−1333.75	−69.61
TPAH+1-Butanol	−5117.47	−119.12	1.87
TPAH+2-Butanol	−5119.10	−121.62	4.14
TPAH+2-Methyl-2-Propanol	−5118.74	−121.01	0.64
TBAH+1-Butanol	−6238.88	−140.15	0.39
TBAH+2-Butanol	−6241.01	−142.28	2.29
TBAH+2-Methyl-2-Propanol	−6241.09	−142.96	0.08