DFT and TD-DFT Study on Structures, Related Energies, Frontier Molecular Orbitals and UV–Vis Spectra of [m(tp)(pph3)(cl)(l)] (M = Ru and Fe; L = C3H4N2 and C13H11N)
Polyhedron（2015）
Key words
Photo-sensitizer,DFT,TD-DFT,DSSC,UV
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