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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Feb-2023 | ferimzone_E_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -801.51988072; Eh | |||
 | 24-Feb-2023 | ferimzone_E_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -801.49558038; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF482_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97088337; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF481_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97170331; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF500_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97091789; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF50_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97099339; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF478_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97131903; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF49_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97126811; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF474_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.96977724; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF475_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.96985022; Eh |
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- 1904 Orca