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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/Bader CO-Model3 | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex | Single point | DFT | - | -241.77839176; eV | |||
 | 27-Aug-2021 | /Model_System/Bader CO-Model1 | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex | Single point | DFT | - | -206.83917784; eV | |||
 | 27-Aug-2021 | /Model_System/Bader CO-Cu2O | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex | Single point | DFT | - | -240.31266335; eV | |||
 | 27-Aug-2021 | /Model_System/Bader CO-Cu111 | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex | Single point | DFT | - | -44.51172125; eV | |||
 | 27-Aug-2021 | /Model_System/Bader CuObulk | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complex | Single point | DFT | - | -10.38139122; eV | |||
 | 27-Aug-2021 | /Model_System/Bader Cu2Obulk | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complex | Single point | DFT | - | -11.98281388; eV | |||
 | 27-Aug-2021 | /Model_System/Bader Cubulk | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex | Single point | DFT | - | -2.54956148; eV | |||
 | 5-Feb-2019 | MoS2_3x3_double_S_vacancies | Ben-Melech Stan, Gabriela | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 30 2017 11:30:11) complex | Single point | DFT | - | -188.55283663; eV | |||
 | 5-Feb-2019 | MoS2_3x3_S_vacancy | Ben-Melech Stan, Gabriela | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 30 2017 11:30:11) complex | Single point | DFT | - | -188.55283663; eV | |||
 | 5-Feb-2019 | MoS2_5x5_S_vacancy | Ben-Melech Stan, Gabriela | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 30 2017 11:30:11) complex | Single point | DFT | - | -535.86388827; eV |
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