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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_CONF816_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81338282; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF821_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81581138; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF787_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81375814; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF673_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81488038; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF665_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81501989; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF667_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81492528; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF663_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81508736; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF64_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81396233; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF637_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81446070; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF625_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81331396; Eh |
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