Browsing Chemistry & Earth Sciences by Subject "DFT calculations"
Now showing items 1-2 of 2
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Crystal structure and spectral of new hydrazine-pyran-dione derivative: DFT enol↔hydrazone tautomerization via zwitterionic intermediate, hirshfeld analysis and optical activity studies
( Elsevier , 2020 , Article)A novel functionalized Schiff base derivative, (E)-3-(1-(2-(9H-fluoren-9-ylidene)hydrazineyl)ethylidene)-6-methyl-2H-pyran-2,4(3H)-dione, was synthesized via subsequent condensation/tautomerization processes in a high ... -
Novel Cu (II) and Zn (II) complexes of 8-hydroxyquinoline derivatives as effective corrosion inhibitors for mild steel in 1.0?M HCl solution: Computer modeling supported experimental studies
( Elsevier B.V. , 2019 , Article)In this work, we have synthesized and characterized novel complexes of copper (II) and zinc (II). These complexes were obtained by reacting of 5-azidomethyl-8-hydroxyquinoline with copper chloride dihydrate and zinc chloride ...