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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
27-Aug-2021 | /Model_System/Frequences/BEEF_vdW CO+Model1 | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex | Frequencies | DFT | - | -206.84093218; eV | ||||
27-Aug-2021 | /Model_System/Frequences/BEEF_vdW Cu2O111 | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex | Frequencies | DFT | - | -240.31266288; eV | ||||
27-Aug-2021 | /Model_System/Frequences/BEEF_vdW Cu111 | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex | Frequencies | DFT | - | -44.51171969; eV |
Results 11-13 of 13 (Search time: 0.001 seconds).