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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_E_CONF452_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97003098; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF460_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96993278; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF469_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96989064; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF458_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97182909; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF461_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97006313; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF464_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97097826; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF459_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96981774; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF455_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97025243; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF474_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96977724; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF500_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97091789; Eh |
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