| Theoretical study of lithium intercalation in rutile and anatase A Stashans, S Lunell, R Bergström, A Hagfeldt, SE Lindquist Physical Review B 53 (1), 159, 1996 | 267 | 1996 |
| Li and Na diffusion in TiO2 from quantum chemical theory versus electrochemical experiment S Lunell, A Stashans, L Ojamäe, H Lindström, A Hagfeldt Journal of the American Chemical Society 119 (31), 7374-7380, 1997 | 245 | 1997 |
| Adsorption of bi-isonicotinic acid on rutile L Patthey, H Rensmo, P Persson, K Westermark, L Vayssieres, ... The Journal of chemical physics 110 (12), 5913-5918, 1999 | 199 | 1999 |
| Al-doped ZnO: Electronic, electrical and structural properties F Maldonado, A Stashans Journal of Physics and Chemistry of Solids 71 (5), 784-787, 2010 | 154 | 2010 |
| Calculations of the ground and excited states of F-type centers in corundum crystals A Stashans, E Kotomin, JL Calais Physical Review B 49 (21), 14854, 1994 | 140 | 1994 |
| Calculations of the geometry and optical properties of F Mg centers and dimer (F 2-type) centers in corundum crystals EA Kotomin, A Stashans, LN Kantorovich, AI Lifshitz, AI Popov, IA Tale, ... Physical Review B 51 (14), 8770, 1995 | 85 | 1995 |
| Theoretical study of perfect and defective TiO2 crystals A Stashans, S Lunell, RW Grimes Journal of Physics and Chemistry of Solids 57 (9), 1293-1301, 1996 | 69 | 1996 |
| Periodic INDO calculations of organic adsorbates on a TiO2 surface P Persson, A Stashans, R Bergström, S Lunell International journal of quantum chemistry 70 (4‐5), 1055-1066, 1998 | 63 | 1998 |
| Quantum chemical simulations of hole self-trapping in corundum PWM Jacobs, EA Kotomin, A Stashans, EV Stefanovich, I Tale Journal of Physics: Condensed Matter 4 (37), 7531, 1992 | 60 | 1992 |
| A novel model for F+ to F photoconversion in corundum crystals EA Kotomin, AI Popov, A Stashans Journal of Physics: Condensed Matter 6 (38), L569, 1994 | 53 | 1994 |
| Quantum-chemical simulation of Al-and Sc-bound hole polarons in BaTiO3 crystal H Pinto, A Stashans Computational materials science 17 (1), 73-80, 2000 | 48 | 2000 |
| Semi-empirical simulations of the electron centers in MgO crystal RI Eglitis, MM Kuklja, EA Kotomin, A Stashans, AI Popov Computational materials science 5 (4), 298-306, 1996 | 47 | 1996 |
| Defects in titanates A Stashans International journal of nanotechnology 1 (4), 399-430, 2004 | 44 | 2004 |
| Computational study of self-trapped hole polarons in tetragonal BaTiO 3 H Pinto, A Stashans Physical Review B 65 (13), 134304, 2002 | 43 | 2002 |
| Quantum-chemical studies of free and potassium-bound hole polarons in SrTiO3 cubic lattice A Stashans Materials chemistry and physics 68 (1-3), 124-129, 2001 | 38 | 2001 |
| Quantum-chemical studies of Nb-doped CaTiO3 F Erazo, A Stashans Philosophical Magazine B 80 (8), 1499-1506, 2000 | 38 | 2000 |
| Density functional theory study of Al-doped hematite R Rivera, HP Pinto, A Stashans, L Piedra Physica Scripta 85 (1), 015602, 2011 | 36 | 2011 |
| Periodic LUC study of F centers in cubic and tetragonal SrTiO3 A Stashans, F Vargas Materials Letters 50 (2-3), 145-148, 2001 | 36 | 2001 |
| Structure, electronic and magnetic properties of Ca-doped chromium oxide studied by the DFT method F Maldonado, R Rivera, A Stashans Physica B: Condensed Matter 407 (8), 1262-1267, 2012 | 35 | 2012 |
| A quantum-chemical study of polar SrTiO3 (110) surface and oxygen-vacancy defects therein A Stashans, S Serrano Surface science 497 (1-3), 285-293, 2002 | 35 | 2002 |
Henry P. PintoDepartment of Physics, School of Physical Sciences and Nanotechnology, Yachay Tech, EcuadorVerified email at yachaytech.edu.ec
