Figure 9
The HOMO, LUMO and energy gap values of the optimized (a) 4-butylferrocene acetate, (b) 4-butylferrocene propionate and (c) 4-butylferrocene butyrate molecules.
Figure 9 | Scientific Reports
The HOMO, LUMO and energy gap values of the optimized (a) 4-butylferrocene acetate, (b) 4-butylferrocene propionate and (c) 4-butylferrocene butyrate molecules.
