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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_CONF195_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99575055; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF205_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99673114; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF236_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99849032; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF239_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99722250; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF240_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99760128; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF237_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99846679; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF243_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99345059; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF244_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99409439; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF245_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99359271; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF241_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99710703; Eh |
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