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Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
/Adsorptions/r-TiO₂-1vac r-TiO₂-vac-MF | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | DFT | - | -2023.63716749; eV | |||
/Energy-profiles/r-TiO₂-1vac r-MF | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | DFT | - | -2023.63716749; eV |
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