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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:googlescopusCross-section measurements of photoabsorption and ionization quantum yields for tetrahydrofuran in the vacuum-ultraviolet energy range
ArticleAbstract: In this work, we report an experimental investigation into the interaction of vacuum-ultraviolet radPalabras claves:Autores:Cavasso-Filho R.L., Farenzena L.S., Homem M.G.P., Iga I., Lee M.T., P. Iza, Peter IzaFuentes:googlescopusFirst-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:googlescopusEvaluation of the affinity of asphaltene molecular models A1 and A2 by the water/oil interfaces based on a novel concept of solubility parameter profiles obtained from MD simulations
ArticleAbstract: Crude oils are formed of asphaltenes that are species soluble in certain solvents such as toluene. TPalabras claves:Asphaltenes, molecular dynamics simulations, Solubility parameter profiles, Water/oil systemsAutores:P. Iza, Parra J.G., Rodriguez G., Schott E., Zarate X.P.Fuentes:scopusEffect of Triton X-100 surfactant on the interfacial activity of ionic surfactants SDS, CTAB and SDBS at the air/water interface: A study using molecular dynamic simulations
ArticleAbstract: Molecular dynamics simulations were carried out to investigate the effect of TX-100 surfactant on thPalabras claves:Hydrophobic film, Interfacial thickness, molecular dynamics, TX-100 surfactantAutores:Dominguez H., P. Iza, Parra J.G., Peter Iza, Schott E., Zarate X.P.Fuentes: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:googlescopusIrradiation of Phenylalanine at 300 K by MeV Ions
ArticleAbstract: Phenylalanine (Phe) is an amino acid that has been identified in carbonaceous meteorites; its formatPalabras claves:Astrochemistry, cosmic rays, Infrared spectroscopy, Nucleobases, Phenylalanine, Radiolytic destruction kineticsAutores:Christian F. Mejía, Da Costa C.A.P., Da Silveira E.F., P. Iza, Peter IzaFuentes:googlescopusStability of finite subspaces in density functional theory: Application to simple atoms
ArticleAbstract: We examine the validity of the first Hohenberg-Kohn theorem, namely, the one-to-one relationship betPalabras claves:finite basis set, first HK theorem, Hilbert space, subspacesAutores:Dick Zambrano Salinas, Eduardo V. Ludeña, Fernando Javier Torres, Luis Rincon, P. Iza, Peter Iza, Y. CarrilloFuentes:googlescopusStudy of dependence between thermal diffusivity and sample concentration measured by means of frequency-resolved thermal lens experiment
ArticleAbstract: This paper describes experimental results of thermal diffusivity measurements performed on differentPalabras claves:frequency-resolved thermal lensing, metrology, Tartrazine, thermal diffusivity measurements, thermal diffusivity of solvents, Thermal lensing, thermal wavesAutores:José Luis Paz, Luis G. Rodríguez, P. Iza, Peter IzaFuentes:googlescopusSynthesis of Bi<inf>4</inf>O<inf>5</inf>I<inf>2</inf> microbars for pollutant degradation through a photocatalytic process
ArticleAbstract: Bi4O5I2 microbars were synthesized by a hydrothermal method and then characterized using a set of inPalabras claves:1D structures, Bi O I microbars 4 5 2, LED light, photocatalysisAutores:Andrea Salgado, Carlos R. Arroyo, Carlos Reinoso Jerez, Cristian Santacruz, Damián Tuba-Guamán, Debut Alexis, Karla Vizuete, Katherine Pazmiño, Michael Zuarez-Chamba, Miguel Herrera-Robledo, Miguel N., Miguel Quishpe, P. Iza, Pablo A. Cisneros-Pérez, Zulay Niño-RuizFuentes:googlescopus