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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_CONF347_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97025765; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF35_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97008240; Eh | |||
 | 24-Feb-2023 | picarbutrazox_E_CONF354_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1384.97187456; Eh | |||
 | 24-Feb-2023 | ferimzone_E_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -801.52017051; Eh | |||
 | 24-Feb-2023 | ferimzone_E_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -801.52035282; Eh | |||
 | 24-Feb-2023 | ferimzone_E_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -801.51965793; Eh | |||
 | 24-Feb-2023 | ferimzone_E_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -801.51965594; Eh | |||
 | 24-Feb-2023 | ferimzone_E_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -801.51947412; Eh | |||
 | 24-Feb-2023 | ferimzone_E_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -801.51950017; Eh | |||
 | 24-Feb-2023 | ferimzone_E_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -801.51966397; Eh |
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- 1904 Orca