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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_CONF175_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81497941; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF188_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81702212; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF174_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81546237; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF181_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81596130; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF184_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81463430; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF187_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81653803; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF813_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78356108; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF811_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78345747; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF647_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78301491; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF625_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81331396; Eh |
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