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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 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/PBE0 Model4 | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex | Frequencies | DFT | - | -414.64257032; 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 | |||
 | 27-Aug-2021 | /Model_System/Frequences/PBE0 CO_molecule | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex | Frequencies | DFT | - | -19.25887560; eV | |||
 | 27-Aug-2021 | /Model_System/Frequences/BEEF_vdW CO+Model5 | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex | Frequencies | DFT | - | -255.09794326; eV | |||
 | 27-Aug-2021 | /Model_System/Frequences/BEEF_vdW H+Model4 | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex | Frequencies | DFT | - | -239.15985679; eV | |||
 | 27-Aug-2021 | /Model_System/Frequences/BEEF_vdW H+Model1b | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex | Frequencies | DFT | - | -200.62667116; eV | |||
 | 27-Aug-2021 | /Model_System/Frequences/BEEF_vdW H+Model1 | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex | Frequencies | DFT | - | -198.04360409; eV | |||
 | 27-Aug-2021 | /Model_System/Frequences/BEEF_vdW CO+Mode3 | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex | Frequencies | DFT | - | -241.78759521; eV | |||
 | 27-Aug-2021 | /Model_System/Frequences/BEEF_vdW CO+Model2 | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex | Frequencies | DFT | - | -220.88097201; eV |
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