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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_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11757231; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF259_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11634242; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF264_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11606034; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF196_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11620720; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF149_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11463266; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF112_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11723396; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF106_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11465895; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF102_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11544231; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF110_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11715513; Eh | ||||
| 13-Mar-2025 | butafenacil_CONF790_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80580801; Eh |
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