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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_CONF134_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97181956; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF132_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97004899; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF133_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.96996991; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF137_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97049702; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF348_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97023868; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF351_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97032692; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF349_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97175747; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF345_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97018032; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF355_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97022555; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF352_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97144543; Eh |
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- 1904 Orca