Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Electronic and structural properties of the (001) SrZrO3 surfaceSambrano, J.R. ; Longo, V.M. ; Longo, E. ; Taft, C.A.Journal of molecular structure. Theochem, 2007-07, Vol.813 (1-3), p.49-56Texto completo disponível |
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Material Type: Artigo
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A theoretical analysis on electronic structure of the (110) surface of TiO2–SnO2 mixed oxideSambrano, J.R. ; Vasconcellos, L.A. ; Martins, J.B.L. ; Santos, M.R.C. ; Longo, E. ; Beltran, A.Journal of molecular structure. Theochem, 2003-07, Vol.629 (1-3), p.307-314Texto completo disponível |
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Material Type: Artigo
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Theoretical analysis of the energy levels induced by oxygen vacancies and the doping process (Co, Cu and Zn) on SnO2 (110) surface modelsSensato, F.R. ; Treu Filho, O. ; Longo, E. ; Sambrano, J.R. ; Andrés, J.Journal of molecular structure. Theochem, 2001-05, Vol.541 (1-3), p.69-79Texto completo disponível |
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Material Type: Artigo
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DFT study of α-alanine as a function of the medium polarityNóbrega, G.F. ; Sambrano, J.R. ; de Souza, A.R. ; Queralt, J.J. ; Longo, E.Journal of molecular structure. Theochem, 2001-07, Vol.544 (1), p.151-157Elsevier B.VTexto completo disponível |
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Material Type: Artigo
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Ab initio study and NMR analysis of the complexion of citric acid with ion lithiumSambrano, J.R. ; Zampieri, M. ; Ferreira, A.G. ; Longo, E.Journal of molecular structure. Theochem, 1999-12, Vol.493 (1-3), p.309-318Texto completo disponível |