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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Mar-2025 | picarbutrazox_Z_CONF229_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1385.00055938; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF235_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1385.00038350; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF276_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97155818; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF277_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97109983; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF275_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96953070; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF287_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96928574; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF285_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96901964; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF286_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96936036; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF283_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97018835; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF288_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96931028; Eh |
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