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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_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81442399; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81660148; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF707_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81596138; 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_CONF676_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81510739; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF673_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81488038; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF625_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80464477; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF489_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80653339; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF429_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80627468; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF433_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80550127; Eh |
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