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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_CONF433_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81515298; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF434_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81493001; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF436_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81556945; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF438_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81515062; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF431_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81572204; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF27_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81445219; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF255_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81696140; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF259_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81455511; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81252037; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF204_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81568112; Eh |
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