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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_CONF344_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97035975; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF332_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97024975; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF333_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97023248; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF338_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97179156; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF343_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97038850; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF341_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97037773; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF34_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97018901; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF393_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97029178; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF368_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97027248; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF380_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97022848; Eh |
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