Browsing by Author Shin, Seung-Jae
Showing results 21 to 26 of 26
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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 | HCCOH_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -157651.916677; eV | |||
 | 31-Aug-2022 | O_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -157118.668755; eV | |||
 | 31-Aug-2022 | OCCO_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -158187.009634; eV | |||
 | 31-Aug-2022 | OCCOH_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -158205.094516; eV | |||
 | 31-Aug-2022 | OH_adsorbate | Shin, Seung-Jae | QuantumEspresso; 6.3 | Single point | SLA PW PBX PBC | PAW | -157135.450724; eV |