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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | pentoxazone_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.90338305; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.90739320; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.90715302; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.65782722; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.65756149; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.66722934; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.66971573; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.65167914; Eh | |||
 | 13-Mar-2025 | oxadiargyl_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1835.64150266; Eh | |||
 | 13-Mar-2025 | pyraclonil_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.28750377; Eh |
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