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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_CONF386_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.45217129; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF386_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44287390; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF389_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42576603; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF389_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.45259081; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF389_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44248275; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF39_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42405445; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42542727; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF403_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42376967; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF403_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44991327; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF403_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44294280; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF405_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42372085; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF40_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42446673; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF411_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42371278; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF419_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42417108; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF419_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.45043472; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF41_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42275473; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF423_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44976915; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF423_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44044609; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF425_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44991491; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF425_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44051827; Eh |