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4 Publications
2023 | Dissertation | LibreCat-ID: 43829
Modelling electron exchange and correlation for catalyst electronic structure simulations
S. Badalov, Modelling Electron Exchange and Correlation for Catalyst Electronic Structure Simulations, 2023.
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S. Badalov, Modelling Electron Exchange and Correlation for Catalyst Electronic Structure Simulations, 2023.
2023 | Journal Article | LibreCat-ID: 43827 | 
Diquat Based Dyes: A New Class of Photoredox Catalysts and Their Use in Aerobic Thiocyanation
A. Meier, S. Badalov, T. Biktagirov, W.G. Schmidt, R. Wilhelm, Chemistry – A European Journal 29 (2023) e202203541.
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A. Meier, S. Badalov, T. Biktagirov, W.G. Schmidt, R. Wilhelm, Chemistry – A European Journal 29 (2023) e202203541.
2023 | Journal Article | LibreCat-ID: 45764 |
Rutile, anatase, brookite and titania thin film from Hubbard corrected and hybrid DFT
S. Badalov, A. Bocchini, R. Wilhelm, A.L. Kozub, U. Gerstmann, W.G. Schmidt, Materials Research Express (n.d.).
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S. Badalov, A. Bocchini, R. Wilhelm, A.L. Kozub, U. Gerstmann, W.G. Schmidt, Materials Research Express (n.d.).
2020 | Journal Article | LibreCat-ID: 19189 |
Photocatalytic properties of graphene‐supported titania clusters from density‐functional theory
S. Badalov, R. Wilhelm, W.G. Schmidt, Journal of Computational Chemistry (2020) 1921–1930.
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S. Badalov, R. Wilhelm, W.G. Schmidt, Journal of Computational Chemistry (2020) 1921–1930.