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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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 | |||
 | 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_1x1_ML | Ben-Melech Stan, Gabriela | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 30 2017 11:30:11) complex | Single point | DFT | - | -21.70600040; eV |
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