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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_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1835.64169079; Eh | |||
 | 13-Mar-2025 | oxadiargyl_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1835.64531093; Eh | |||
 | 13-Mar-2025 | oxadiargyl_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1835.64502170; Eh | |||
 | 13-Mar-2025 | pyraclonil_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.30984675; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.89744631; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.90688565; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.90712312; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.88556512; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.88605347; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF38_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.88306901; Eh |
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