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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_CONF212_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1385.00028043; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF309_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96979749; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF318_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97272165; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF311_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97202740; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF317_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96995240; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF305_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97268823; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF308_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96976828; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF291_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96942261; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF307_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97262168; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF337_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97028415; Eh |
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