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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_CONF233_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.45038202; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF233_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44020011; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42639809; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF241_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42307643; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF242_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42331586; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF244_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42147472; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF244_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44759897; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF244_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.43792626; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF249_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42307082; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF25_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42652894; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF262_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.43797566; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF263_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42240714; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF263_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44900297; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF263_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44005024; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42640016; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF277_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.43801156; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF27_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42461738; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF283_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42471760; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF283_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.45120263; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF283_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44140056; Eh |