Table 3. Predicted Electronic Occupancy of the 5f Orbital of Th, Fm, Md, and No in [An(NO₃)]²⁺ in Gas (g) and Aqueous (aq) Environments Calculated with NBO.

			5f
An	functional	N and O basis set	(g)	(aq)
Th	B3LYP	6-31G*	0.7	0.4
		6-311++G**	0.7	0.4
	PBE0	6-31G*	0.7	0.3
		6-311++G**	0.7
Fm	B3LYP	6-31G*
		6-311++G**	12.0	11.1
	PBE0	6-31G*	12.0	11.1
		6-311++G**	12.0	11.1
Md	B3LYP	6-31G*	13.0
		6-311++G**	13.0	12.3
	PBE0	6-31G*	13.0
		6-311++G**	13.0	12.3
No	B3LYP	6-31G*	14.0	13.6
		6-311++G**	14.0	13.7
	PBE0	6-31G*	14.0	13.7
		6-311++G**	14.0	13.7