Experimental and quantum chemical studies of a novel synthetic prenylated chalcone

BMC Chemistry

Table 1 Summary of DFT methods tested in the study

Method	Type	Exchange/correlation functional	Ref
B3LYP	Hybrid DFT	Becke88/Lee-Yang-Parr	[24, 25]
PBE1PBE	Hybrid DFT	PBE/PBE	[26]
TPSS	Pure or meta DFT	TPSS/TPSS	[27, 28]
M05-2X	Hybrid meta DFT	M05-2X/M05-2X	[29, 30]
M06-2X	Hybrid meta DFT	M06-2X/ M06-2X	[30, 31]

ISSN: 2661-801X