Browsing by Author Stashans, A.

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Issue DateTitleAuthor(s)
20-Jul-2010F-center impact on F-Center Impact on Photoelectrochemical Properties in HematiteStashans, A.; Rivera Escobar, R.
10-May-2015Fe-doped SnO2: A Quantum-chemical ApproachStashans, A.; Puchaicela Huaca, L.
1-Jan-2014First-principles calculations of chromium oxide containing impuritiesRivera Escobar, R.; Stashans, A.
15-Jun-2012First-principles investigation of Fe-doped MgSiO 3-ilmeniteStashans, A.; Pinto, H.; Rivera, K.
15-Oct-2010Fundamental and excited states of F-type centres in MgSiO3 perovskiteStashans, A.; Piedra, L.; Briceno, T.
20-Apr-2014Geometry of dopamine adsorption on rutile (110) surfaceOntaneda Rojas , J.; Stashans, A.; Castillo Malla, D.
1-May-2007H-doped PbTiO3: Structure and electronic propertiesStashans, A.; Rivera Escobar, R.
1-Mar-2007Hydrogen impurity in SrTiO3: Structure, electronic properties and migrationBarreto, R.; Stashans, A.; Villamagua Conza, L.; Procel, L.
10-Aug-2013Iron impurity in zircon by DFT computationsStashans, A.
20-Jun-2013Large hole polarons in Sc-doped TiO2 crystalsStashans, A.
-Local structure, magnetic and electronic properties of N-doped alpha-Cr2O3 from the first-principlesStashans, A.
1-Feb-2010Microstructure and optical properties of ? - Fe2 O3 containing F-centresStashans, A.
-Microstructure and optical properties of alpha - Fe2 O3 containing F-centresRivera Escobar, R.; Stashans, A.; Gonzalez, S.
1-Apr-2010Modelling of Al impurity in perovskite and ilmenite structures of MgSiO3Stashans, A.; Chamba, G.; Eras, L.
10-Oct-2013Modelling of neutral vacancies in forsterite mineralStashans, A.
1-Jan-2013Periodic DFT study of molecular crystalsRivera Escobar, R.; Stashans, A.; Castillo Malla, D.
1-Jun-2011Physical and chemical properties of a Ga-doped ZnO crystalStashans, A.; Rivera Escobar, R.; Olivos, K.
-Properties of the silver cyclic amide Ag-2(C4H4NO2)(2)(H2O) crystal from the periodic DFT computationsStashans, A.; Castillo Malla, D.
1-Jan-2014Properties of the silver cyclic amide Ag2(C4H4NO2)2(H2O) crystal from the periodic DFT computationsStashans, A.
9-Jul-2009Quantum chemical investigation of lanthanum doping effects in tetragonal and rhombohedral PZT materialsStashans, A.; Maldonado, F.