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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-May-2023 | /High_coverage glycolaldehyde_formation_neb | Mates Torres, Eric | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex | N/A | DFT | - | -535.47497588; eV | |||
| 24-May-2023 | /High_coverage covered_surface | Mates Torres, Eric | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex | N/A | DFT | - | -512.56808342; eV | |||
| 24-May-2023 | /Low_coverage deprotonated_formaldehyde | Mates Torres, Eric | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex | N/A | DFT | - | -370.34607994; eV | |||
| 24-May-2023 | /Low_coverage adsorbed_formaldehyde | Mates Torres, Eric | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex | N/A | DFT | - | -369.74514832; eV | |||
| 24-May-2023 | /Molecules glycolaldehyde | Mates Torres, Eric | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only | N/A | DFT | - | -45.58862284; eV | |||
| 24-May-2023 | /Low_coverage formaldehyde_deprotonation_neb | Mates Torres, Eric | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex | N/A | DFT | - | -369.74514832; eV | |||
| 24-May-2023 | /High_coverage adsorbed_glycolaldehyde | Mates Torres, Eric | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex | N/A | DFT | - | -537.91877521; eV | |||
| 24-May-2023 | /High_coverage physisorbed_formaldehyde | Mates Torres, Eric | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex | N/A | DFT | - | -535.47497588; eV | |||
| 24-May-2023 | /Molecules formaldehyde | Mates Torres, Eric | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only | N/A | DFT | - | -22.14444468; eV | |||
 | 26-Sep-2023 | (2,0,3)_1 | Mates Torres, Eric | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only | N/A | DFT | - | -824.23045481; eV |
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