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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_CONF238_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99801149; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF242_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99802608; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF231_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99856911; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF247_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99791827; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF258_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99821512; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF261_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99704840; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF250_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99769125; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF264_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99831249; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF253_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99690023; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF262_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99616860; Eh |
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