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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_CONF116_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99694459; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF109_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99665389; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF112_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99636472; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF110_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99641219; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF104_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99618925; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF106_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99738331; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF107_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99711978; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF114_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99640442; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF194_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99872672; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF129_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99622284; Eh |
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