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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_E_CONF241_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97086887; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF240_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97181721; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF246_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96664580; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF242_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96635342; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF254_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96617056; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF247_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97162708; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF248_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96654579; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF251_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96627318; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF253_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96929279; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF255_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96911573; Eh |
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