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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-Aug-2022 | CC_H_OH_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -157651.926811; eV | |||
 | 31-Aug-2022 | CCOH_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -157635.255396; eV | |||
 | 31-Aug-2022 | CCO_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -157619.326519; eV | |||
 | 31-Aug-2022 | CCH_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -157067.878782; eV | |||
 | 31-Aug-2022 | CCH2_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -157084.084796; eV | |||
 | 31-Aug-2022 | CC_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -157051.326588; eV | |||
 | 31-Aug-2022 | C_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -156800.779079; eV | |||
 | 31-Aug-2022 | H2CCHO_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -157667.798640; eV | |||
 | 31-Aug-2022 | HCCOH_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -157651.916677; eV | |||
 | 31-Aug-2022 | HCCHO_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -157651.876595; eV |
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