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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_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73748120; Eh | |||
 | 8-May-2023 | bialaphos_CONF95_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73550836; Eh | |||
 | 8-May-2023 | bialaphos_CONF143_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73905741; Eh | |||
 | 8-May-2023 | bialaphos_CONF96_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73533544; Eh | |||
 | 8-May-2023 | bialaphos_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73625257; Eh | |||
 | 8-May-2023 | bialaphos_CONF89_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73803815; Eh | |||
 | 8-May-2023 | bialaphos_CONF95_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73734341; Eh | |||
 | 8-May-2023 | bialaphos_CONF136_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73332511; Eh | |||
 | 8-May-2023 | bialaphos_CONF127_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73266854; Eh | |||
 | 8-May-2023 | bialaphos_CONF128_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73368727; Eh |
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- 87 Single point