All theoretically computational calculations of SQ1 and SQ2 for energy potential and the electron distribution of HOMO /LUMO states have been done through optimized geometries of final dye with the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) at B3LYP/6-311G** level of calculations using Gaussian 03 program package [32, 33]. Thus, this principle is pretty beneficial for the utility of electron chemistry, due to the fact HOMO /LUMO potentials involve the capabilities of proton transfer or unshared pair/empty orbital
All theoretically computational calculations of SQ1 and SQ2 for energy potential and the electron distribution of HOMO /LUMO states have been done through optimized geometries of final dye with the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) at B3LYP/6-311G** level of calculations using Gaussian 03 program package [32, 33]. Thus, this principle is pretty beneficial for the utility of electron chemistry, due to the fact HOMO /LUMO potentials involve the capabilities of proton transfer or unshared pair/empty orbital