Konu "DFT calculations" için WoS İndeksli Yayınlar Koleksiyonu listeleme
Toplam kayıt 4, listelenen: 1-4
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Experimental and theoretical studies of 4-[(4-methyl-5-phenyl-4h1,2,4-tiıazol-3-yl)sulfanyl]benzene-1,2-dicarbonitrile
(Soc Chemists Technologists Madeconia, 2016)In this study, 4-[(4-methy1-5-pheny1-4H-1,2,4-triazol-3-yl)sulfanyl]benzene-1,2-dicarbonitrile was synthesized and its molecular structure was characterized by means of FT-IR. and X-ray diffraction methods. the crystal is ... -
Spectroscopic, electrochemical, theoretical characterization and biological evaluation of a ferrocenyl-substituted unsymmetric azine ligand and its Cu(II) complex
(Taylor & Francis Ltd, 2016)Ferrocenyl-substituted unsymmetrical azine and its Cu(II) complex were prepared. the redox active ferrocene-based azine was obtained by condensation of 1-[(E)-hydrazono]-5-bromo-2-hydroxybenzene with ferrocene carboxaldehyde. ... -
Synthesis and radical scavenging activity of new phenolic hydrazone/hydrazide derivatives: Experimental and theoretical studies
(Elsevier, 2021)Hydrazone and hydrazone-hydrazide-based compounds represent important classes of compounds that continue to attract increasing interest due to their diverse pharmacological actions. In the present study, a series of new ... -
An unsymmetrical ferrocene based azine and its Cu(II) complex: Spectroscopy, crystal structure, electrochemistry and DFT calculations
(Elsevier Science Sa, 2015)An unsymmetrical ferrocenyl-substituted azine ligand and its Cu(II) complex have been prepared in this study. the redox active ferrocene-based azine ligand was obtained by condensation of 2-methanehydrazonoylphenol and ...