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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_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.64939058; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.64961520; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.65126803; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.64937307; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.65157160; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.65132078; Eh | |||
 | 13-Mar-2025 | oxadiazon_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1838.14093368; Eh | |||
 | 13-Mar-2025 | oxadiazon_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1838.14988593; Eh | |||
 | 13-Mar-2025 | oxadiazon_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1838.12994500; Eh | |||
 | 13-Mar-2025 | oxadiazon_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1838.13011979; Eh |
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