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Issue Date | Title | Author(s) |
---|---|---|
Jan-2021 | DFT Accuracy on Bulk Transition Metals Properties | Fernández Martínez, Andrea |
Jun-2022 | Bandgap Engineering on MXene Compounds by Structure, Composition, and Surface Termination | Ontiveros Cruz, Diego |
2021 | Computational Study of the Conformational Free Energy Landscape of β-D-Glucopyranose | Olives Salmerón, Adrià |
Jun-2019 | Probing CO Adsorption on fcc Metals | Pelegero Alonso, Lorena |
Jul-2020 | Carbide MXenes Surface Tension Effect on CO2 Capture | Dolz Garcia, Daniel |
Jan-2021 | Biogas upgrading by Grazynes | Calzada Escrig, Adrià |
Jun-2020 | On the C(1s) core level binding energy calculations of MXene carbides. A theoretical approach | García-Romeral González, Néstor Mauricio |
Jun-2020 | Computer assisted design of new [CrII(R-indenyl)2] molecules with Spin-crossover properties | Rodríguez Barba, Fileto |
Jan-2024 | Stereochemical influence on tuning the transition temperature in Spin-Crossover molecules | Alcocer Bernuz, Carlota |
Jan-2021 | Single-Atoms Catalysts based on MXenes | Pibernat Cabañas, Sara |
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