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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_CONF164_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80641124; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80357348; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF175_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80502026; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF114_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80519645; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF853_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81548140; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF86_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81500500; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF682_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81508029; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF432_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81577228; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF433_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81515298; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF434_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81493001; Eh |
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