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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_CONF330_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97028168; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF32_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96999264; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF319_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96596740; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF351_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97032692; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF345_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97018032; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF348_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97023868; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF358_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97006413; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF366_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97155736; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF359_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96995327; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF360_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97021304; Eh |
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