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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_CONF639_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81339422; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF631_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81521639; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF565_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81546568; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF563_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80332100; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF583_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80616979; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF585_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80569471; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF573_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80488960; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF564_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80662966; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF546_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80640201; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF366_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80646197; Eh |
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