. 2016 May 4;7(8):5352–5361. doi: 10.1039/c6sc01062h

Table 1. (CQ₀)₂^– ground state energetics in units of eV ^a .

Method	BDE	VDE	ADE
ωB97XD//GEN1	0.93 (0.81)	2.84 (2.85)	2.51 (2.50)
MP2//GEN1 ^b	1.37 (0.82)	2.45 (2.45)	—
ωB97XD/GEN2 ^c	0.85 (0.81)	2.83 (2.83)	2.42 (2.42)
Experimental	1.0 ± 0.2	2.87 ± 0.03	2.6 ± 0.1

^aKey: BDE – adiabatic bond dissociation energy; VDE – vertical detachment energy; and ADE – adiabatic detachment energy. Counterpoise-corrected values are in parentheses.

^bThis method provides a reasonable treatment of dispersion interactions (ref. 62).

^cωB97XD//GEN1 geometry. All calculated values include zero-point energy corrections.

Table 1. (CQ0)2– ground state energetics in units of eV a .

Table 1. (CQ₀)₂^– ground state energetics in units of eV ^a .