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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_CONF53_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73242625; Eh | |||
 | 8-May-2023 | bialaphos_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73340674; Eh | |||
 | 8-May-2023 | bialaphos_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73257359; Eh | |||
 | 8-May-2023 | bialaphos_CONF40_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73577337; Eh | |||
 | 8-May-2023 | bialaphos_CONF53_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73504706; Eh | |||
 | 8-May-2023 | bialaphos_CONF41_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73655881; Eh | |||
 | 8-May-2023 | glufosinate-ammonium_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -894.99632476; Eh | |||
 | 8-May-2023 | bialaphos_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73528735; Eh | |||
 | 8-May-2023 | bialaphos_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73514645; Eh | |||
 | 8-May-2023 | bialaphos_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1389.73538053; Eh |
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