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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_CONF383_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99761186; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF397_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99747549; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF403_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99811179; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF375_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99778159; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF366_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99735868; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF418_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99818370; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF63_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99821180; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF434_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99870753; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF479_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99819203; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF64_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99819781; Eh |
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