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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_CONF249_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99770461; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF252_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99774317; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF250_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99962960; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF253_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99930854; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF237_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1385.00057862; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF247_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1385.00026561; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF248_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1385.00075448; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF258_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1385.00051710; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF264_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1385.00050072; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF255_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1384.99807796; Eh |
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