Table 2 .

Computed global reactivity parameters of A-C, units in eV.

Compounds	IP	EA	X	Μ	Η	ω	σ	ΔNmax
A	7.128	1.491	4.309	− 4.309	2.818	3.294	0.177	1.529
B	6.973	1.358	4.165	− 4.165	2.807	3.090	0.178	1.483
C	7.144	2.526	4.835	− 4.835	2.309	5.062	0.216	2.093