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Molecules Free Full-Text A DFT Study on FeI/FeII/FeIII …
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Applications of density functional theory (DFT) in organic …
WebJun 28, 2024 · The quantum chemical studies (DFT) was utilized to further explain the structural properties of the compounds by using the DFT/B3LYP/6–311 ++ ... End-capped group manipulation of non-fullerene acceptors for efficient organic photovoltaic solar cells: a DFT study. Phys Chem Chem Phys 22(41):23586–23596. WebCurrently, we reported the synthesis of six novel salicylaldehyde-based thiosemicarbazones (BHCT1–HBCT6) via condensation of salicylaldehyde with respective thiosemicarbazide. Through various spectroscopic methods, UV–visible and NMR, the chemical structures of BHCT1–HBCT6 compounds were determined. Along with synthesis, a computational … WebAromatic or partly saturated β-carbolines can be found as key structural motifs in a variety of biologically active compounds, including both synthetic and natural products that display remarkable pharmacological activities, e.g., antimalarial [], cardioprotective [], trypanocidal and neurotoxic [] effects.A number of compounds belonging to this group of … canon ir-adv c250/350 ufr ii