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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_CONF204_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97241412; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF206_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97255642; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF213_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97199226; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF215_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97242877; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF217_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97151810; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF220_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97245499; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF227_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97233537; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF229_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97124445; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF231_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97263230; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF249_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96904433; Eh |
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