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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | oxyfluorfen_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.66911977; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.66746478; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.66724891; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.66726045; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.65195562; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.64942625; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.65130847; Eh | |||
 | 13-Mar-2025 | oxadiazon_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1838.15014558; Eh | |||
 | 13-Mar-2025 | oxadiazon_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1838.13009717; Eh | |||
 | 13-Mar-2025 | oxadiargyl_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1835.63426279; Eh |
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