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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_CONF100_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97145484; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF104_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97155600; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF170_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97243904; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF164_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97073651; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF165_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97041728; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF148_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97068151; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF156_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96935288; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF159_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97249306; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF172_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97104964; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF155_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96964026; Eh |
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