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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_CONF373_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80671222; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF255_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80667385; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF201_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80571965; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF204_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80605922; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF206_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80551683; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF203_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80493126; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF743_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81409674; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF744_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81391073; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF678_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81483907; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF681_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81651329; Eh |
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