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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-Aug-2022 | HCCO_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -157635.181158; eV | |||
 | 31-Aug-2022 | COCO_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -158186.318784; eV | |||
 | 31-Aug-2022 | COOH_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -157953.437627; eV | |||
 | 31-Aug-2022 | HCCH2_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -157100.398730; eV | |||
 | 31-Aug-2022 | Cu_bare_surface | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -156551.516807; eV | |||
 | 31-Aug-2022 | COH_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -157385.047609; eV |
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