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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | pyraclonil_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.28854975; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.66711782; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.66005938; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.65817434; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.64885125; Eh | |||
 | 13-Mar-2025 | oxadiazon_CONF31_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1838.12786342; Eh | |||
 | 13-Mar-2025 | oxadiazon_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1838.13114879; Eh | |||
 | 13-Mar-2025 | oxadiazon_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1838.12770508; Eh | |||
 | 13-Mar-2025 | oxadiazon_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1838.13045377; Eh | |||
 | 13-Mar-2025 | oxadiargyl_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1835.63802884; Eh |
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