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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | carfentrazone-ethyl_CONF167_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09140843; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF192_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09329350; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF194_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09335284; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09241424; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09232968; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF186_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09108764; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF801_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80381207; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF802_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80369991; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80487983; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF80_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80481586; Eh |
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