Browsing by Author Stashans, A.

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Showing results 48 to 61 of 61 < previous 
Issue DateTitleAuthor(s)
9-Jul-2009Quantum chemical investigation of lanthanum doping effects in tetragonal and rhombohedral PZT materialsStashans, A.; Maldonado, F.
1-Dec-2006Quantum chemical modelling of Al-doped PZT crystalsSerrano, S.; Stashans, A.; Celi, L.
1-Jan-2013Quantum chemical study of defective chromium oxideRivera Escobar, R.; Stashans, A.
1-Jan-2014Quantum chemical study of point defects in tin dioxideRivera Escobar, R.; Stashans, A.; Puchaicela Huaca, L.
30-May-2016Quantum-chemical study of nitrogen and magnesium co-doping in ?-Cr2O3Stashans, A.; Jácome, S.
1-Feb-2009Schottky defects in cubic lattice of SrTiO3Stashans, A.; Villamagua Conza, L.
1-May-2009Simulation of iron impurity in BaTiO3 crystalsStashans, A.; Castillo Malla, D.
24-Dec-2009Simulation of pure and defective wurtzite-type ZnOMaldonado, F.; Stashans, A.
1-Jan-2013SnO2 Physical and Chemical Properties due to the impurity dopingRivera Escobar, R.; Stashans, A.; Puchaicela Huaca, L.
21-Aug-2007Structural and electronic effects of an Nb impurity in PZT crystalsSerrano, S.; Stashans, A.; Celi, L.
15-Apr-2012Structure, electronic and magnetic properties of Ca-doped chromium oxide studied by the DFT methodMaldonado, F.; Rivera Escobar, R.; Stashans, A.
-Structure, electronic properties and chemical bonding in bis(1H-imidazolium-KN3)silver(I) nitrate from periodic DFT computationsStashans, A.; Jacome, S.
1-Aug-2010Ti-doped ?-Fe2O3 by quantum-chemical modelingStashans, A.
-Ti-doped alpha-Fe2O3 by quantum-chemical modelingRivera Escobar, R.; Stashans, A.