Hydrazone-based Materials; DFT, TD-DFT, NBO Analysis, Fukui Function, MESP Analysis, and Solar Cell Applications - Sakr, Mahmoud A. S.; Sherbiny, Farag F.; El-Etrawy, Abd-Allah Sh (Journal of fluorescence, 2022)
Keywords: Absorption spectra; Analytical Chemistry; Biochemistry; Biological and Medical Physics; Biomedical and Life Sciences; Biomedicine; Biophysics; Biotechnology; Chemical bonds; Density functional theory; Energy gap; Energy harvesting; Hydrazines; Hydrazones; Molecular orbitals; Molecular structure; Open circuit voltage; Photovoltaic cells; Quantum chemistry; Review; Solar cells; Natural bond orbital (NBO); Quantum calculations; Hydrazone derivatives; Density functional theory (DFT); TD-DFT