Table 1. Calculated BDEs in Gas Phase and Water and Ethanol Solvents at the Weakest X–H (X = C, O) Bonds of the Studied Compounds (in kcal·mol^–1).

			BDEs (X–H)
compounds	name	X–H position	gas phase	water	ethanol
1	dihydrokaempferol	C3–H	73.0	75.9	75.2
		O4′–H	87.5	88.6	88.0
2	dihydromyricetin	O4′–H	79.0	80.6	78.7
		C3–H	73.4	77.2	76.6
3	kaempferol	O3–H	85.2	84.2	83.3
		O4′–H	85.4	86.9	86.3
4	keto-teracacidin	O7–H	79.3	84.3	83.6
		C3–H	76.1	79.2	78.6
5	naringenin	O4′–H	88.0	89.3	88.7
		C2–H	80.5	84.1	83.5
6	pinobanksin	O7–H	94.0	96.7	96.1
		C3–H	73.5	77.6	76.9
7	pinocembrin	O7–H	93.5	96.1	95.5
		C2–H	82.9	86.4	85.8
8	catechin	O4′–H	77.2	81.0	80.4
		C2–H	81.3	85.1	84.4
9	isomelacacidin	O7–H	77.0	81.0	80.3
		O4′–H	77.8	81.6	80.9
		C4–H	80.3	83.8	83.2
10	isoteracacidin	O7–H	77.1	81.0	80.3
		C4–H	80.1	83.7	83.0
11	melacacidin	O7–H	77.7	81.7	81.1
		O4′–H	77.3	81.1	80.5
		C2–H	82.6	85.5	84.9
12	taxifolin	O4′–H	78.2	81.9	81.2
		C3–H	73.7	78.0	77.3
13	teracacidin	O7–H	77.8	81.7	81.1
		C2–H	82.2	85.3	84.7