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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_CONF817_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81533922; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF715_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81530262; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF717_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81487132; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF713_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81564887; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF714_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81524938; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF71_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81614756; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF709_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81482070; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF665_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81501989; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF667_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81492528; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF561_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80630920; Eh |
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