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Ethanol adsorption on SrTiO3 surfaces
ArticleAbstract: Using a quantum chemical method developed for crystalline systems and a periodic large unit cell (LUPalabras claves:Adsorption, electronic structure, ethanol, Periodic LUC model, SrTiO surface 3, SrTiO3 surfaceAutores:Fernando Javier Torres, Stashans A., Viteri R.Fuentes:scopusQuantum-chemical study of photo-excited states in tetragonal SrTiO3 lattice
ArticleAbstract: The nature of photo-excited states in SrTiO<inf>3</inf> has been a topic of intense debate during thPalabras claves:Autores:Ortiz D., Stashans A., Viteri R.Fuentes:scopusQuantum-chemical study of excitons in tetragonal BaTiO3 and SrTiO3 crystals
Conference ObjectAbstract: Using a quantum-chemical INDO method based on the Hartree-Fock formalism and the periodic large unitPalabras claves:BaTiO 3, BaTiO3, Excitons, LUC, Luminescence, SrTiO 3, SrTiO3, Structural and electronic propertiesAutores:Luis Miguel Procel Moya, Ortiz D., Stashans A., Tipán F., Viteri R.Fuentes:googlescopus