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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Feb-2023 | picarbutrazox_E_CONF340_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97008068; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF342_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97026933; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF341_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97037773; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF344_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97035975; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF338_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97179156; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF34_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97018901; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF421_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97171921; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF427_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97178490; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF425_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97179216; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF422_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97181599; Eh |
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- 1904 Orca