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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Sep-2025 | /Single-points/HSE-13-111kp/Pristine nh3-sro | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -436.96153511; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Pristine py-ceo2 | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -421.23288108; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Pristine py-zno | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -313.53234685; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Pristine co2-iro2 | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -982.54233071; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Pristine co2-ruo2 | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -1027.24129591; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Pristine co2-sno2 | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -853.63360361; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Pristine co2-mgo | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -442.07738865; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Pristine co2-bao | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -433.34493686; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Pristine co2-cao | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -465.55216175; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Pristine co2-sro | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -442.89637933; eV |
Results 98871-98880 of 103542 (Search time: 0.066 seconds).
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- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
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