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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_CONF121_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99572359; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF100_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99767760; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF135_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99578819; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF148_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99621940; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF209_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99604705; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF191_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99619828; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF196_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99824331; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF198_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99623835; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF193_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99592508; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF214_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99687007; Eh |
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