. 2018 Feb 13;14(4):1841–1852. doi: 10.1021/acs.jctc.7b01206

Table 5. Barrier Height (ΔF^‡) of Breaking of N|···C Bond and Free Energy Difference (ΔF) of N|···C⁺–O^– Interaction with DAS and Microsolvation Models^a.

	ΔF^‡ [kcal/mol]	s_mean of ΔF^‡[kcal/mol]	ΔF [kcal/mol]	s_mean of ΔF [kcal/mol]

DAS	10.71	0.78	5.94	0.51
Microsolvation	12.57	0.27	9.58	0.32

Also the standard error of the mean is tabulated: Inline graphic

Table 5. Barrier Height (ΔF‡) of Breaking of N|···C Bond and Free Energy Difference (ΔF) of N|···C+–O– Interaction with DAS and Microsolvation Modelsa.