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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_CONF567_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81623006; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF589_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81596447; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF583_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81567440; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF576_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81324936; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF647_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80506463; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF552_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80472532; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF547_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80447450; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF556_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80633863; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF557_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80361163; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF491_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80745122; Eh |
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