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| | Preview | Author(s) | Title | Type | Issue Date |
| 1 | | Kraushofer, Florian ; Jakub, Zdenek ; Bichler, Magdalena ; Hulva, Jan ; Drmota, Peter ; Weinold, Michael ; Schmid, Michael ; Setvin, Martin ; Diebold, Ulrike ; Blaha, Peter ; Parkinson, Gareth S. | Atomic-Scale Structure of the Hematite α-Fe₂O₃(1102) "R-Cut" Surface | Artikel Article  | 2018 |
| 2 | | Virdi, Kulpreet S. ; Kauffmann, Yaron ; Ziegler, Christian ; Ganter, Pirmin ; Blaha, Peter ; Lotsch, Bettina V. ; Kaplan, Wayne D. ; Scheu, Christina | Band Gap Extraction from Individual Two-Dimensional Perovskite Nanosheets Using Valence Electron Energy Loss Spectroscopy | Artikel Article | 2016 |
| 3 | | Li, Xia ; Haunold, Thomas ; Werkovits, Stefan ; Marks, Laurence D ; Blaha, Peter ; Rupprechter, Günther | CO Adsorption and Disproportionation on Smooth and Defect-Rich Ir(111) | Article Artikel | 21-Apr-2022 |
| 4 | | Khoo, Khoong Hong ; Laskowski, Robert ; Blaha, Peter | Computational Study of Al and Sc NMR Shielding in Metallic ScTT′Al Heusler Phases | Artikel Article | 2017 |
| 5 | | Laskowski, Robert ; Khoo, Khoong Hong ; Haarmann, Frank ; Blaha, Peter | Computational Study of Ga NMR Shielding in Metallic Gallides | Artikel Article | 2017 |
| 6 | | Kalantari, Leila ; Blaha, Peter ; Khoo, Khoong Hong ; Laskowski, Robert | Computational Study of Y NMR Shielding in Intermetallic Yttrium Compounds | Artikel Article | 2017 |
| 7 | | Ghosh, Arghya ; Jana, Subrata ; Niranjan, Manish K. ; Tran, Fabien ; Wimberger, David ; Blaha, Peter ; Constantin, Lucian A. ; Samal, Prasanjit | Correct and Accurate Polymorphic Energy Ordering of Transition-Metal Monoxides Obtained from Semilocal and Onsite-Hybrid Exchange-Correlation Approximations | Article Artikel | 1-Sep-2022 |
| 8 | | Li, Xia ; Pramhaas, Verena ; Rameshan, Christoph ; Blaha, Peter ; Rupprechter, Günther | Coverage-induced orientation change: CO on Ir(111) monitored by polarization-dependent sum frequency generation spectroscopy and density functional theory | Artikel Article | 2020 |
| 9 |  | Chen, Jia-Li ; Blaha, Peter ; Kaltsoyannis, Nikolas | DFT + U simulation of the X-ray absorption near-edge structure of bulk UO₂ and PuO₂ | Article Artikel   | 14-Sep-2023 |
| 10 | | Patra, Abhilash ; Jana, Subrata ; Samal, Prasanjit ; Tran, Fabien ; Kalantari, Leila ; Doumont, Jan ; Blaha, Peter | Efficient Band Structure Calculation of Two-Dimensional Materials from Semilocal Density Functionals | Artikel Article | 2021 |
| 11 | | Laskowski, Robert ; Blaha, Peter | NMR Shielding in Metals Using the Augmented Plane Wave Method | Artikel Article | 2015 |
| 12 | | Khan, Wilayat ; Betzler, Sophia B. ; Šipr, Ondřej ; Ciston, Jim ; Blaha, Peter ; Scheu, Christina ; Minar, Jan | Theoretical and Experimental Study on the Optoelectronic Properties of Nb₃O₇(OH) and Nb₂O₅ Photoelectrodes | Artikel Article | 2016 |
| 13 | | Laskowski, Robert ; Blaha, Peter | Understanding of ³³S NMR Shielding in Inorganic Sulfides and Sulfates | Artikel Article | 2015 |
