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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_CONF134_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81534345; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF115_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81632484; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF112_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81550501; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF103_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81477715; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF109_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81355353; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81606825; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF104_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81547033; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF107_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81614990; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF802_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78346646; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF663_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78383124; Eh |
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