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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 13-Mar-2025 | carfentrazone-ethyl_CONF217_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09003657; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09210051; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF203_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.08967576; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF213_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.08687890; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF154_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09246087; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF162_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09116770; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF163_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09122695; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF157_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09245824; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF155_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09203217; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF136_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09287314; Eh |
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