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| Preview | Issue Date | Title | Author(s) |
| 15-Aug-2011 | A new insight on the role of Mg in calcite | Stashans, A.; Chamba, G. |
| - | A quantum mechanical study of La-doped Pb(Zr,Ti)O-3 | Stashans, A.; Maldonado, F. |
| 15-Apr-2007 | A quantum mechanical study of La-doped Pb(Zr,Ti)O3 | Stashans, A. |
| 1-Mar-2016 | A quantum-chemical approach to Ni and Fe codoping in SnO2 | Stashans, A. |
| 31-May-2006 | A quantum-chemical study of oxygen-vacancy defects in PbTiO3 crystals | Stashans, A.; Serrano, S.; Medina, P. |
| 1-Apr-2008 | A quantum-chemical study of phosphor impurity in BaTiO3 crystal | Stashans, A.; Vidal, G. |
| 17-Jan-2012 | Ab initio calculation of chromium oxide containing Ti dopant | Maldonado, F.; Stashans, A.; Novillo, M. |
| 18-Sep-2009 | Al-bound hole polarons in TiO2 | Stashans, A.; Bermeo, S. |
| 1-May-2010 | Al-doped ZnO: Electronic, electrical and structural properties | Maldonado, F.; Stashans, A. |
| 6-May-2016 | Band gap engineering of graphene through quantum confinement and edge distortions | Stashans, A.; Gomez, C.; Villamagua Conza, L.; Carini, M. |
| 1-May-2015 | Change in the electrical conductivity of SnO2 crystal from n-type to p-type conductivity | Villamagua Conza, L.; Carini, M.; Liu, Y.; Liu, C., et al |
| - | Defects in TiO2 crystals | Rivera Escobar, R.; Stashans, A. |
| 1-Jan-2013 | Defects in TiO<inf>2</inf> crystals | Stashans, A. |
| 1-Jan-2012 | Density functional theory study of Al-doped hematite | Rivera Escobar, R.; Stashans, A.; Pinto, H.; Piedra, L. |
| 1-Jan-2014 | DFT calculations of tin dioxide crystals containing heavily-doped fluorine | Stashans, A.; Marcillo, F. |
| 1-Jan-2016 | DFT MODELING OF BENZOYL PEROXIDE ADSORPTION ON ?-Cr2O3 (0001) SURFACE | Stashans, A. |
| 1-May-2016 | DFT modelling of hydrogen sulphide adsorption on ?-Cr2O3 (0001) surface | Maldonado, F.; Stashans, A. |
| 1-Apr-2014 | DFT study of chromium-doped SnO2 materials | Stashans, A.; Rivera Escobar, R.; Puchaicela Huaca, L. |
| 14-Oct-2013 | DFT study of iron impurity in ZrSiO4 | Stashans, A. |
| 1-Jan-2015 | Dopamine adsorption configurations on anatase (101) surface | Stashans, A.; Castillo Malla, D.; Marcillo, F. |
| - | Doping of SnO2 with H atoms: An alternative way to attain n-type conductivity | Stashans, A.; Villamagua Conza, L. |
| 1-Oct-2008 | Effects of Nb impurity on orthorhombic PbZrO3 crystals | Rivera Escobar, R.; Stashans, A. |
| 1-Jan-2015 | Effects of vanadium impurity on TiO2 properties | Stashans, A.; Escobar, J. |
| 1-Sep-2016 | Electronic and Magnetic Properties of Co- and Mn-codoped ZnO by Density Functional Theory | Stashans, A. |
| 2-Jan-2017 | Electronic properties of Cr-, B-doped and codoped SrTiO3 | Stashans, A. |
| 1-Feb-2008 | Electronic structure, chemical bonding, and geometry of pure and Sr-doped CaCO3 | Stashans, A.; Chamba, G.; Pinto, H. |
| 1-Jun-2006 | Ethanol adsorption on SrTiO3 surfaces | Stashans, A.; Torres, J.; Viteri, R. |
| 3-Mar-2016 | Experimental Observation and Computer Simulation of Al/Sn Substitution in p-Type Aluminum Nitride-Doped Tin Oxide Thin Film | Cheng-Yi, L.; Villamagua Conza, L.; Carini, M.; Liu, Y., et al |
| 20-Jul-2010 | F-center impact on F-Center Impact on Photoelectrochemical Properties in Hematite | Stashans, A.; Rivera Escobar, R. |
| 10-May-2015 | Fe-doped SnO2: A Quantum-chemical Approach | Stashans, A.; Puchaicela Huaca, L. |
| 1-Jan-2014 | First-principles calculations of chromium oxide containing impurities | Rivera Escobar, R.; Stashans, A. |
| 15-Jun-2012 | First-principles investigation of Fe-doped MgSiO 3-ilmenite | Stashans, A.; Pinto, H.; Rivera, K. |
| 15-Oct-2010 | Fundamental and excited states of F-type centres in MgSiO3 perovskite | Stashans, A.; Piedra, L.; Briceno, T. |
| 20-Apr-2014 | Geometry of dopamine adsorption on rutile (110) surface | Ontaneda Rojas , J.; Stashans, A.; Castillo Malla, D. |
| 1-May-2007 | H-doped PbTiO3: Structure and electronic properties | Stashans, A.; Rivera Escobar, R. |
| 1-Mar-2007 | Hydrogen impurity in SrTiO3: Structure, electronic properties and migration | Barreto, R.; Stashans, A.; Villamagua Conza, L.; Procel, L. |
| 10-Aug-2013 | Iron impurity in zircon by DFT computations | Stashans, A. |
| 20-Jun-2013 | Large hole polarons in Sc-doped TiO2 crystals | Stashans, A. |
| - | Local structure, magnetic and electronic properties of N-doped alpha-Cr2O3 from the first-principles | Stashans, A. |
| 1-Feb-2010 | Microstructure and optical properties of ? - Fe2 O3 containing F-centres | Stashans, A. |
| - | Microstructure and optical properties of alpha - Fe2 O3 containing F-centres | Rivera Escobar, R.; Stashans, A.; Gonzalez, S. |
| 1-Apr-2010 | Modelling of Al impurity in perovskite and ilmenite structures of MgSiO3 | Stashans, A.; Chamba, G.; Eras, L. |
| 10-Oct-2013 | Modelling of neutral vacancies in forsterite mineral | Stashans, A. |
| 1-Jan-2013 | Periodic DFT study of molecular crystals | Rivera Escobar, R.; Stashans, A.; Castillo Malla, D. |
| 1-Jun-2011 | Physical and chemical properties of a Ga-doped ZnO crystal | Stashans, A.; Rivera Escobar, R.; Olivos, K. |
| - | Properties of the silver cyclic amide Ag-2(C4H4NO2)(2)(H2O) crystal from the periodic DFT computations | Stashans, A.; Castillo Malla, D. |
| 1-Jan-2014 | Properties of the silver cyclic amide Ag2(C4H4NO2)2(H2O) crystal from the periodic DFT computations | Stashans, A. |
| 9-Jul-2009 | Quantum chemical investigation of lanthanum doping effects in tetragonal and rhombohedral PZT materials | Stashans, A.; Maldonado, F. |
| 1-Dec-2006 | Quantum chemical modelling of Al-doped PZT crystals | Serrano, S.; Stashans, A.; Celi, L. |
| 1-Jan-2013 | Quantum chemical study of defective chromium oxide | Rivera Escobar, R.; Stashans, A. |
