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New publication: Water Reactions on Reconstructed Rutile TiO2: A Density Functional Theory/Density Functional Tight Binding Approach

Filippo Balzaretti, Verena Gupta, Lucio Colombi Ciacchi, Balint Aradi, Thomas Frauenheim, Susan Köppen: Water Reactions on Reconstructed Rutile TiO2: A Density Functional Theory/Density Functional Tight Binding Approach, https://pubs.acs.org/doi/10.1021/acs.jpcc.1c00871 (2021)