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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_CONF94_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78426167; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF98_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78228302; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF97_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78496372; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF790_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78157839; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF801_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78346822; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF797_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78177425; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF798_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78462025; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF688_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78331458; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF679_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78475416; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF61_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78444709; Eh |
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