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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_CONF228_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10732163; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF192_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10914133; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF194_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10928186; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF193_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10750250; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF195_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10750621; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF188_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11617336; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF170_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11823944; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF172_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11603114; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11804307; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11787346; Eh |
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