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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_CONF361_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99709468; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF338_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99744739; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF351_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99753338; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF330_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99824756; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF337_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99698098; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF339_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99790350; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF356_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99666745; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF349_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99856029; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF365_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99791533; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF371_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99778918; Eh |
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