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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_CONF72_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78454462; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF70_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78457263; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF69_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78432370; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78542228; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF63_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78430546; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF631_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78439253; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF567_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81623006; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF583_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81567440; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF576_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81324936; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF432_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81577228; Eh |
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