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Electronic structure, chemical bonding, and geometry of pure and Sr-doped CaCO3
ArticleAbstract: The electronic structure, chemical bonding, geometry, and effects produced by Sr-doping in CaCO3 havPalabras claves:CaCO 3Autores:A. Stashans, G. Chamba, H. PintoFuentes:rraaeProperties of the silver cyclic amide Ag-2(C4H4NO2)(2)(H2O) crystal from the periodic DFT computations
ArticleAbstract: A molecular crystal of silver cyclic amide Ag-2(C4H4NO2)(2)(H2O) is studied using first-principles dPalabras claves:ACID, antimicrobial activity, atoms, complexes, generalized gradient approximation, OxygenAutores:A. Stashans, D. Castillo MallaFuentes:rraae