The Electronic Structure of Graphene Nanoislands: A CAS-SCF and NEVPT2 Study

Table 11

Energy differences () for the different triangle nanoislands in kcal/mol.

Nanoisland	State	CASCI	NEVPT2
T_2		0.0000	0.0000
T_3		0.0000	0.0000
		46.5326	20.8193
T_4		0.0000	0.0000
		11.1032	9.4850
T_5		0.0000	0.0000
		9.1677	7.7646
		24.5984	19.7295
T_6		0.0000	0.0000
		19.4382	8.6588
		38.1891	15.7219
T_7		0.0000	0.0000
		1.6667	2.3705
		2.6897	3.8132
		3.0055	4.2300
		8.4552	10.3104