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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_CONF152_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42473124; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF152_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.45048011; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF152_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44051093; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF154_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42222013; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF154_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44845728; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF154_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.43881849; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF158_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42361335; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF158_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.45132796; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF158_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44145937; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF159_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44916486; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42454257; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44726903; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.43770098; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF161_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42378296; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF161_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.45099838; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF161_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44077792; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF163_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44857166; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF164_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42423892; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF164_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.44973981; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF164_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.43967618; Eh |