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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_CONF217_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99827351; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF199_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99857239; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF215_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99845629; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF205_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99881991; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF202_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99866441; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF221_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99858428; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF236_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99836464; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF229_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99840343; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF237_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99829537; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF223_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99841948; Eh |
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