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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_CONF302_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99812132; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF279_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99682121; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF277_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99713175; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF288_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99506332; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF300_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99798612; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF307_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99697937; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF294_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99527761; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF293_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99544693; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF345_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99711315; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF343_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99749343; Eh |
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