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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2023 | chlozolinate_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.47454826; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.47511132; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.47402459; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.47459824; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.46825577; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.46681124; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.46752587; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.46766829; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.46863755; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.46867081; Eh |
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