Modelling electron exchange and correlation for catalyst electronic structure simulations
S. Badalov, Modelling Electron Exchange and Correlation for Catalyst Electronic Structure Simulations, 2023.

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.

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.).

Photocatalytic properties of            graphenesupported            titania clusters from            densityfunctional            theory
S. Badalov, R. Wilhelm, W.G. Schmidt, Journal of Computational Chemistry (2020) 1921–1930.