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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_CONF122_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99687944; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF124_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99682098; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF191_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99898547; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF192_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99843812; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF195_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99903453; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF190_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99886152; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF196_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99932396; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF213_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99851110; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF197_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99924350; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF207_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99814444; Eh |
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