Table 1.

Calculated and experimental g and A tensors of the molecular VO(acac)₂ complex and the isolated surface vanadyl [VO]-5T species

Structure	g xx	g yy	g zz	|A xx| (MHz)	|A yy| (MHz)	|A zz| (MHz)	Reference
Calculated
VO(acac)2	1.977	1.980	1.953	177	154	504	this work
[VO]-5T	1.982	1.989	1.890	167	156	514	this work
Experimental
VO(acac)2	1.975	1.979	1.947	180	168	502	[34]
VIVO-silica	1.970	1.970	1.927	204	204	545	[15]
	1.976	1.976	1.930	187	187	530	[10]