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Geometry of dopamine adsorption on rutile (110) surface
ArticleAbstract: Density functional theory (DFT) and generalized gradient approximation (GGA) have been employed to sPalabras claves:Adsorption, band-gap narrowing, DFT + U, dopamine, TiO rutile 2Autores:A. Stashans, Castillo P., D. Castillo Malla, Darwin Patricio Castillo Malla, J. Ontaneda Rojas, Jorge Ontaneda, Stashans A.Fuentes:googlerraaescopusProperties of the silver cyclic amide Ag2(C4H4NO2)2(H2O) crystal from the periodic DFT computations
OtherAbstract: A molecular crystal of silver cyclic amide Ag2(C4H4NO2)2(H2O) is studied using first-principles densPalabras claves:Autores:Darwin Patricio Castillo MallaFuentes:google