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Journal of Biochemical and Molecular Toxicology(1)
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Revista Mexicana de Ingeniera Quimica(1)
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy(1)
A quantum chemical study of small molecules used as active layer component of organic solar cells
ArticleAbstract: Organic solar cells (OSCs) are one of the best alternatives in the photovoltaic area. These devicesPalabras claves:DFT, HOMO, LUMO, NMRAutores:Adriana A. Alvarado, Haci Baykara, P. Iza, Peter Iza, Zarate X.P.Fuentes:googlescopusInvestigation of the Effect of Some Optically Active Imine Compounds on the Enzyme Activities of hCA-I and hCA-II under In Vitro Conditions: An Experimental and Theoretical Study
ArticleAbstract: Inhibitors of carbonic anhydrase (hCA; EC 4.2.1.1) are used as medicines for many diseases. ThereforPalabras claves:Carbonic Anhydrase, chirality, DFT, Inhibition, Theoretical NMRAutores:Akkemik E., Haci Baykara, Tektas O.Fuentes:googlescopusSynthesis and characterization of 1,2-bis(2-(5-bromo-2- hydroxybenzilidenamino)-4-chlorophenoxy)ethane and its metal complexes: An experimental, theoretical, electrochemical, antioxidant and antibacterial study
ArticleAbstract: A new Schiff base ligand was synthesized by reaction of 5-bromosalicylaldehyde with 1,2-bis(4-chloroPalabras claves:antioxidant, Cyclic Voltammetry, DFT, Gaussian, HF, Schiff base complexesAutores:Haci Baykara, Ilhan S., Levent A., Okumus V., Özdemir S., Oztomsuk A., Seyitoglu M.S.Fuentes:scopusThermodynamic stability of promoted niobium sulfide catalyst for hydrodesulfurization: A dft study
ArticleAbstract: Density functional theory calculations of single-layer models of niobium sulfide catalysts promotedPalabras claves:Canonical Potential, DFT, HDS, Niobium Sulfide Catalysts, Promotor effectAutores:Alba Beatriz Vidal, Alejandro Martiz, Darío E. Arroyo, Dick Zambrano Salinas, Eduardo V. Ludeña, Haci Baykara, Mauricio Heriberto Cornejo, P. Iza, Samantha SamaniegoFuentes:scopus