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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_CONF500_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81550444; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF501_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81603271; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF550_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81622147; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF547_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81548332; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81424389; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF467_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81523198; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF598_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80604986; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF604_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80699103; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF603_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80569044; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF607_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80594301; Eh |
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