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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_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.31182351; Eh | |||
 | 13-Mar-2025 | pyraclonil_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.31005984; Eh | |||
 | 13-Mar-2025 | pyraclonil_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.30948965; Eh | |||
 | 13-Mar-2025 | pyraclonil_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.31152865; Eh | |||
 | 13-Mar-2025 | pyraclonil_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.31659818; Eh | |||
 | 13-Mar-2025 | pyraclonil_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.28828549; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.89742516; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF44_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.89357110; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.90741406; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.89713427; Eh |
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