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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 13-Mar-2025 | butafenacil_CONF307_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78449896; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78324734; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF287_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78436061; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF279_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78392572; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF274_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78417411; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF625_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78217868; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF623_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78378778; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF604_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78301784; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF606_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78491828; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78387910; Eh |
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