| A Self Energy Model of Dephasing in Molecular Junctions G Penazzi, A Pecchia, V Gupta, T Frauenheim The Journal of Physical Chemistry C 120 (30), 16383-16392, 2016 | 15 | 2016 |
| Water Reactions on Reconstructed Rutile TiO2: A Density Functional Theory/Density Functional Tight Binding Approach F Balzaretti, V Gupta, LC Ciacchi, B Aradi, T Frauenheim, S Köppen The Journal of Physical Chemistry C 125 (24), 13234-13246, 2021 | 9 | 2021 |
| Using DFTB to Model Photocatalytic Anatase–Rutile TiO2 Nanocrystalline Interfaces and Their Band Alignment VK Gupta, B Aradi, K Kweon, N Keilbart, N Goldman, T Frauenheim, ... Journal of Chemical Theory and Computation 17 (8), 5239-5247, 2021 | 3 | 2021 |
| NO Degradation on the Anatase TiO2 (001) Surface in the Presence of Water VK Gupta, F Balzaretti, P Guo, S Köppen, T Frauenheim, A Dominguez The Journal of Physical Chemistry C, 2021 | 3 | 2021 |
| Possibilities and Limits of Decreasing the Gap of Anatase TiO2 by Alloying with Nitrogen VK Gupta, M Lorke, T Frauenheim, P Deak The Journal of Physical Chemistry C 125 (5), 3192-3197, 2021 | 3 | 2021 |
| Size of electron polarons in anatase and their role in photocatalysis T Mou, VK Gupta, MF Tabriz, T Frauenheim, P Deák Physical Review B 107 (15), 155127, 2023 | 2 | 2023 |
| Photoinduced Dynamics at the Interface M Wagstaffe, A Dominguez-Castro, L Wenthaus, S Palutke, D Kutnyakhov, ... Physical Review Letters 130 (10), 108001, 2023 | 2 | 2023 |
| Water reactions on reconstructed rutile TiO: a DFT / DFTB approach F Balzaretti, V Gupta, LC Ciacchi, B Aradi, T Frauenheim, S Köppen arXiv preprint arXiv:2102.02725, 2021 | 1 | 2021 |
| Modeling TiO2: insights into photocatalytic material properties and reactions VK Gupta Universität Bremen, 2021 | | 2021 |
| Possibilities and Limits of Decreasing the Gap of Anatase TiO₂ by Alloying with Nitrogen VK Gupta, M Lorke, T Frauenheim, P Deák American Chemical Society, 2021 | | 2021 |
