Involvement of donor, acceptor2, and acceptor1 fragments in the formation of FMOs of WR and W1–W7 molecules.

Molecules		Donor (%)	Acceptor2 (%)	Acceptor1 (%)
R	HOMO	57.8	21.3	21.0
	LUMO	38.2	47.7	14.0
W1	HOMO	56.1	22.8	21.1
	LUMO	34.2	55.2	10.6
W2	HOMO	56.7	22.5	20.8
	LUMO	34.9	53.6	11.4
W3	HOMO	57.3	22.0	20.7
	LUMO	36.7	50.3	13.0
W4	HOMO	56.8	22.9	20.3
	LUMO	36.9	49.8	13.3
W5	HOMO	56.8	22.6	20.5
	LUMO	38.3	47.9	13.7
W6	HOMO	57.4	22.3	20.4
	LUMO	38.4	47.3	14.3
W7	HOMO	57.0	22.8	20.2
	LUMO	37.3	48.8	14.0