Quantum chemical studies on the some inorganic corrosion inhibitors
Some quantum chemical parameters were calculated by using Hartree–Fock (HF)
approximation, Density Functional Theory (DFT/B3LYP) and Møller Plesset perturbation …
approximation, Density Functional Theory (DFT/B3LYP) and Møller Plesset perturbation …
A combined experimental and DFT investigation of mono azo thiobarbituric acid based chalcone disperse dyes
AZ Omar, MN Mahmoud, SK El-Sadany, EA Hamed… - Dyes and pigments, 2021 - Elsevier
A number of monoazo dyes were synthesized by the reaction of 4-aminoacetophenone with
different substituted benzaldehydes to give a new series of chalcone derivatives. The …
different substituted benzaldehydes to give a new series of chalcone derivatives. The …
Reductive Aminomethylation Using Ammonium Formate and Methanol as N1 and C1 Source: Direct Synthesis of Mono-and Di-Methylated Amines
An Ir (III) complex catalyzed single and dual reductive amination followed by N-methylation
of aldehydes and ketones to synthesize N, N-dimethyl as well as N-methyl tertiary amines …
of aldehydes and ketones to synthesize N, N-dimethyl as well as N-methyl tertiary amines …
Controlling factors in the rates of oxidation of anilines and phenols by triplet methylene blue in aqueous solution
Anilines and phenols are structurally similar compound classes that both are susceptible to
oxidation by excited state triplet sensitizers but undergo oxidation by different mechanisms …
oxidation by excited state triplet sensitizers but undergo oxidation by different mechanisms …
Computational characterization of benzimidazolium-acridine-based gold N-heterocyclic carbene complexes and investigation of their anti-tumor properties
S Kaya - Polyhedron, 2024 - Elsevier
Abstract In this study, 1-(Acridin-9-yl)-3-methyl-benzimidazolium chloride (3a), 1-(Acridin-9-
yl)-3-ethyl benzimidazolium bromide (3b), 1-(Acridin-9-yl)-3-benzyl benzimidazolium …
yl)-3-ethyl benzimidazolium bromide (3b), 1-(Acridin-9-yl)-3-benzyl benzimidazolium …
[HTML][HTML] Local vibrational mode analysis of ion–solvent and solvent–solvent interactions for hydrated Ca2+ clusters
Hydrated calcium ion clusters have received considerable attention due to their essential
role in biological processes such as bone development, hormone regulation, blood …
role in biological processes such as bone development, hormone regulation, blood …
Pincer-(NHC) Mn (I) Complex-Catalyzed Selective α-Alkylation of Ketones and Nitriles Using Unactivated Alkenyl Alcohols
Construction of C–C bonds utilizing challenging alkenyl alcohols employing first-row
transition-metal catalysts is an unexplored area. Herein, we report the α-alkylation of …
transition-metal catalysts is an unexplored area. Herein, we report the α-alkylation of …
A novel azo-azomethine based fluorescent dye and its Co (II) and Cu (II) metal chelates
Cobalt (II) and copper (II) complexes of a novel Schiff base ligand containing two–Ndouble
bondN–chromophore groups, derived from the condensation of 2-hydroxy-5-[(E) …
bondN–chromophore groups, derived from the condensation of 2-hydroxy-5-[(E) …
Computational and experimental studies of 2-[(E)-hydrazinylidenemethyl]-6-methoxy-4-[(E)-phenyldiazenyl] phenol and its tautomers
A new azo-chromophore group containing a hydrazine-Schiff base compound, 2-[(E)-
hydrazinylidenemethyl]-6-methoxy-4-[(E)-phenyldiazenyl] phenol, was synthesized and …
hydrazinylidenemethyl]-6-methoxy-4-[(E)-phenyldiazenyl] phenol, was synthesized and …
A novel azo-aldehyde and its Ni (II) chelate; synthesis, characterization, crystal structure and computational studies of 2-hydroxy-5-{(E)-[4-(propan-2-yl) phenyl] …
Abstract A novel azo-salicylaldeyde, 2-hydroxy-5-{(E)-[4-(propan-2-yl) phenyl] diazenyl}
benzaldehyde and its Ni (II) chelate were obtained and characterized by analytical and …
benzaldehyde and its Ni (II) chelate were obtained and characterized by analytical and …