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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_CONF192_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10914133; 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_CONF194_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10928186; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF168_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10827676; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF112_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10769834; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF114_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10747102; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF308_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11714284; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF310_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11800455; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF300_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11510778; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF344_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11795967; Eh |
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