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Comparison of theoretical and experimental electronic and optoelectronic properties of HPS compound
(Institute of Physics Publishing, 2019)
We investigated electronic and optoelectronic properties of 1,1,2,3,4,5-Hexaphenyl-1H-silole (HPS) compound for different concentrations and for theoretical (B3LYP and CAM) and experimental methods. Optical parameters such ...
The structural, electronic and spectroscopic properties of 4FPBAPE molecule: Experimental and theoretical study
(ELSEVIER SCIENCE BV, 2018)
The experimental and theoretical study of 4-Formyl Phenyl Boronic Acid Pinacol Ester (4FPBAPE) molecule were performed in this work. H-1, C-13 NMR and UV-Vis spectra were tested in dimethyl sulfoxide (DMSO). The structural, ...
Required theoretical and experimental physical characteristics of tris[4-(diethylamino)phenyl] amine organic material
(SPRINGER, 2018)
In here, we investigated the required theoretical and experimental physical characteristics such as potential energy surface scan, optimized structure, vibrational spectra, electronic band structure, molecular electrostatic ...