Table 3. The NBO atomic charges calculated for studied compounds (conformers with the lowest energy).

		Chromone	Flavone	3-Hydroxyflavone	3,7-Hydroxyflavone	Galangin	Kaempferol	Quercetin
A	C8	-0.234	-0.234	-0.233	-0.295	-0.329	-0.334	-0.318
	C9	0.332	0.337	0.346	0.376	0.391	0.390	0.385
	C10	-0.177	-0.174	-0.183	-0.208	-0.270	-0.262	-0.262
	C5	-0.177	-0.144	-0.144	-0.122	0.398	0.396	0.403
	C6	-0.209	-0.211	-0.213	-0.284	-0.337	-0.337	-0.351
	C7	-0.169	-0.170	-0.169	0.347	0.366	0.365	0.366
Total charge		-0.634	-0.596	-0.596	-0.186	0.219	0.218	0.223
C	O1	-0.481	-0.496	-0.481	-0.485	-0.481	-0.484	-0.491
	C2	0.222	0.376	0.303	0.311	0.327	0.330	0.314
	C3	-0.351	-0.331	0.200	0.210	0.198	0.204	0.208
	C4	0.484	0.485	0.455	0.448	0.455	0.438	0.437
	C10	-0.177	-0.174	-0.183	-0.208	-0.270	-0.262	0.385
	C9	0.332	0.337	0.346	0.376	0.391	0.390	-0.262
Total charge		0.029	0.197	0.640	0.652	0.620	0.616	0.853
B	C3’		-0.204	-0.209	-0.201	-0.203	-0.247	-0.114
	C4’		-0.185	-0.188	-0.189	-0.186	0.332	-0.229
	C5’		-0.204	-0.207	-0.206	-0.206	-0.285	0.248
	C6’		-0.157	-0.151	-0.159	-0.157	-0.134	0.295
	C1’		-0.099	-0.097	-0.115	-0.118	-0.147	-0.243
	C2’		-0.158	-0.159	-0.174	-0.172	-0.149	-0.160
Total charge			-1.007	-1.011	-1.044	-1.042	-0.630	-0.203
	O1	-0.481	-0.496	-0.481	-0.485	-0.481	-0.484	-0.491
	O3			-0.674	-0.679	-0.676	-0.682	-0.679
	O4	-0.580	-0.587	-0.619	-0.634	-0.687	-0.692	-0.688
	O5					-0.668	-0.669	-0.668
	O7				-0.660	-0.657	-0.658	-0.659
	O3’							-0.706
	O4’						-0.664	-0.663

e = 1,602*10⁻¹⁹ C.