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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_CONF102_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97121684; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF122_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97102750; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF125_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97176327; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF127_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97080685; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF128_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97047381; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF121_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97130245; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF131_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97010888; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF135_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96994886; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF129_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97018022; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF199_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97245941; Eh |
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