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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | oxadiargyl_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1835.63817211; Eh | |||
 | 13-Mar-2025 | oxadiargyl_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1835.63777653; Eh | |||
 | 13-Mar-2025 | oxadiargyl_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1835.63818646; Eh | |||
 | 13-Mar-2025 | oxadiargyl_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1835.63724814; Eh | |||
 | 13-Mar-2025 | pyraclonil_CONF25_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.28908302; Eh | |||
 | 13-Mar-2025 | pyraclonil_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.28603634; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.90331340; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.90713293; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF43_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.88280973; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF46_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.88277830; Eh |
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