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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_CONF281_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99705707; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF287_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99629040; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF288_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99675909; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF289_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99660373; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF313_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99703991; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF320_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99718860; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF286_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99670089; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF316_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99727109; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF322_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99747126; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF354_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99742087; Eh |
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