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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_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80475680; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80527652; 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_CONF781_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81690147; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF78_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81552003; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF743_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81409674; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF744_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81391073; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF684_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81516671; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF69_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81524522; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF687_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81613845; Eh |
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