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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_CONF258_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97129044; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF235_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97247993; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF237_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97103805; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF248_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97186548; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF263_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97199009; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF247_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97162708; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF337_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97159861; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF356_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97136283; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF361_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97189097; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF371_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97117774; Eh |
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