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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Mar-2025 | flutianil_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2113.08238485; Eh | |||
 | 23-Mar-2025 | flutianil_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2113.08247465; Eh | |||
 | 23-Mar-2025 | flutianil_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2113.09442592; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF107_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97142947; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF101_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97128457; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF102_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97121684; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF106_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97031828; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF112_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97111608; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF108_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97099397; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF111_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97120755; Eh |
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