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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_CONF197_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97235370; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF202_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97183225; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF195_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97226190; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF185_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97188266; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF192_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97213109; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF189_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97242412; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF190_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97247794; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF194_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97204023; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF383_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97096670; Eh | |||
 | 23-Mar-2025 | picarbutrazox_Z_CONF394_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97078280; Eh |
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