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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_CONF751_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81494441; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF748_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81419122; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF675_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81538416; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF464_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81629859; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF445_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81461013; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF449_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81442159; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF453_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81403559; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81428273; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81190945; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF381_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81405374; Eh |
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