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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-May-2023 | bialaphos_CONF72_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73550729; Eh | |||
 | 8-May-2023 | bialaphos_CONF71_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73500467; Eh | |||
 | 8-May-2023 | bialaphos_CONF54_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73590601; Eh | |||
 | 8-May-2023 | bialaphos_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73749725; Eh | |||
 | 8-May-2023 | bialaphos_CONF71_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73703511; Eh | |||
 | 8-May-2023 | bialaphos_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73366528; Eh | |||
 | 8-May-2023 | bialaphos_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73453594; Eh | |||
 | 8-May-2023 | bialaphos_CONF152_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73674148; Eh | |||
 | 8-May-2023 | bialaphos_CONF154_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73695520; Eh | |||
 | 8-May-2023 | bialaphos_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73712932; Eh |
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