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Journal of Computational Methods in Sciences and Engineering(1)
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Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy(1)
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Exploring 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: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:googlescopusThe Liu-Parr power series expansion of the Pauli kinetic energy functional with the incorporation of shell-inducing traits: Atoms
ArticleAbstract: An approximate expression for the Pauli kinetic energy functional Tp is advanced in terms of the LiuPalabras claves:density functional theory, Enhancement factor, Kinetic energy functional, Kohn-Sham, Pauli functionalAutores:Darío E. Arroyo, Edison Salazar, Eduardo V. Ludeña, Karasiev V.V., Mauricio Heriberto CornejoFuentes:scopusThe use of zeolite-based geopolymers as adsorbent for copper removal from aqueous media
ArticleAbstract: Copper has been proven to have hazardous effects on human beings depending on its concentration levePalabras claves:Adsorption, Adsorption isotherms, geopolymer, kinetics, wastewater, ZeolitesAutores:CV Tapia-Bastidas, Haci Baykara, Jose Javier Delgado Echeverria, Maria De Lourdes Mendoza Solorzano, Mauricio Heriberto CornejoFuentes:googlescopus