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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_CONF208_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81360020; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF124_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81509992; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF122_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81605014; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF641_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78427642; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF624_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81585655; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF604_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81617965; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF614_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81567431; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF607_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81555420; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF613_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81539050; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF616_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81557055; Eh |
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