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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_E_CONF442_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99767390; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF446_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99794214; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF436_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99624747; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF439_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99780056; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF449_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99804122; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF438_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99665427; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF466_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99797928; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF470_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99820664; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF469_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99811207; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF471_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99790400; Eh |
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