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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_CONF290_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96957416; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF289_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96938563; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF279_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97197497; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF282_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96885607; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF325_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97009295; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF321_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97281886; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF322_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97038698; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF327_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97024353; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF328_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.97040790; Eh | |||
 | 23-Mar-2025 | picarbutrazox_E_CONF331_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1384.96987651; Eh |
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