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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_CONF117_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80649829; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF122_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80664204; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80494158; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF126_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80484986; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF822_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81501866; 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_CONF798_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81686010; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF790_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81290107; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF797_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81516682; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF787_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81375814; Eh |
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