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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Jan-2023 | pethoxamid_CONF573_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42575305; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF573_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.45179326; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF573_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44168478; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF574_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42593639; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF574_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.45187447; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF574_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44174267; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF59_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42544298; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF59_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.45170006; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF59_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44177603; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42677845; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.45200777; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44207308; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF604_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44902518; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF604_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.43998225; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF611_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44987447; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF611_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44029247; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF614_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44904056; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF614_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44022618; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF616_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44981683; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF616_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44027030; Eh |