Biosensitivity and Theoretical Electronic Structure Investigations on 3-(2-Hydroxyphenyl)-2-iminothiazolidin-4-one and Its Zn²⁺ and Cd²⁺ Metal Complexes

Table 4

Percentage fragmentation contributions in FMO.

FMO of L1 systems
Atoms/FMO	C	N	O	S	H
L+1	24	5	0	71	5
L	52	20	18	5	5
H	80	1	19	0	0
H-1	85	10	4	1	0
FMO of ZnL1 systems
Atoms/FMO	C	N	O	S	H	Zn
L+1	90	1	4	2	1	1
L	75	1	24	0	0	0
H	75	1	24	0	0	0
H-1	75	1	22	0	0	1
FMO of CdL1 systems
Atoms/FMO	C	N	O	S	H	Cd
L+1	81	3	8	4	3	0
L	72	1	26	0	0	1
H	73	1	24	0	0	1
H-1	74	2	24	0	0	1