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Citrate-Coated Silver Nanoparticles Interactions with Effluent Organic Matter: Influence of Capping Agent and Solution Conditions
ArticleAbstract: Fate and transport studies of silver nanoparticles (AgNPs) discharged from urban wastewaters containPalabras claves:Autores:Aubry C., Croue J.P., Leonardo Gutierrez, Mauricio Heriberto CornejoFuentes:googlescopusAn investigation of the effect of migratory type corrosion inhibitor on mechanical properties of zeolite-based novel geopolymers
ArticleAbstract: The effects of migratory type corrosion inhibitor and curing time on the thermal stability and mechaPalabras claves:Alkali activation, compressive strength, Corrosion inhibitors, geopolymer, natural zeoliteAutores:Andrés Rigail-Cedeño, Haci Baykara, José Luís Villalba, Mauricio Heriberto Cornejo, Néstor Ulloa AuquiFuentes:googlescopusExploring the effect of the O-(1-heptylnonyl) benzene sulfonate surfactant on the nature of the linear hydrocarbons/water interface by means of an atomistic molecular dynamics simulation
ArticleAbstract: Using molecular dynamics simulations a systematic study of the binding energy per cross sectional arPalabras claves:binding energies per area, hydrocarbon water interface, Linear alkyl benzene sulfonates, molecular dynamicsAutores:Alejandro Martiz, Cecilia A. Paredes, Eduardo V. Ludeña, Jímenez D.M., Mauricio Heriberto Cornejo, Parra J.G., Ricardo Paredes, Samantha Samaniego, Yosslen R. ArayFuentes:scopusFirst-principles study of the nature of niobium sulfide catalyst for hydrodesulfurization in hydrotreating conditions
ArticleAbstract: For the metal-edge of pure NbS2 catalyst mixed with Mo and promoted with V, Fe, Co, and Ni, densityPalabras claves:Autores:Alba Beatriz Vidal, Cecilia A. Paredes, David Santiago Coll, Dick Zambrano Salinas, Eduardo V. Ludeña, Henriquez F., Jímenez D.M., Mauricio Heriberto Cornejo, P. Iza, Peter Iza, Yosslen R. ArayFuentes:googlescopusNon-Born–Oppenheimer electron, nuclear and nuclear–electron second-order density matrices for exactly solvable four-particle model system
ArticleAbstract: Properties of the non-Born–Oppenheimer two-matrix are examined for four-particle systems of the CoulPalabras claves:density functional theory, Few body systems, Reduced density matrix, Two-matrixAutores:Dick Zambrano Salinas, Eduardo V. Ludeña, Mauricio Heriberto Cornejo, P. Iza, Peter IzaFuentes:googlescopusStudy of some simple approximations to the non-interacting kinetic energy functional
ArticleAbstract: Within the framework of density functional theory, a study of approximations to the enhancement factPalabras claves:density functional theory, Enhancement factor, Kinetic energy functional, Kohn–Sham formalismAutores:Edison Salazar, Eduardo V. Ludeña, Karasiev V.V., Mauricio Heriberto Cornejo, Pedro F. GuarderasFuentes:scopusSynthesis, characterization and experimental, theoretical, electrochemical, antioxidant and antibacterial study of a new Schiff base and its complexes
ArticleAbstract: A new Schiff base ligand was synthesized by reaction of salicylaldehyde with 1,6-bis(4-chloro-2-aminPalabras claves:1,6-Bis(4-chloro-2-aminophenoxy)hexane, Biological activities, Cyclic Voltammetry, Gaussian 09 and HOMO-LUMO, Mass Spectra, SalicyaldehydeAutores:Haci Baykara, Ilhan S., Levent A., Mauricio Heriberto Cornejo, Okumus V., Özdemir S., Oztomsuk A., Salih Seyitoglu M.Fuentes:googlescopusThermodynamic 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