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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2023 | tiadinil_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1523.12784447; Eh | |||
 | 26-Jan-2023 | tiadinil_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1523.12262714; Eh | |||
 | 26-Jan-2023 | tiadinil_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1523.12276986; Eh | |||
 | 26-Jan-2023 | tiadinil_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1523.14868331; Eh | |||
 | 26-Jan-2023 | tiadinil_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1523.12796426; Eh | |||
 | 26-Jan-2023 | tiadinil_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1523.12231427; Eh | |||
 | 26-Jan-2023 | tiadinil_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1523.12296868; Eh | |||
 | 26-Jan-2023 | tiadinil_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1523.14851106; Eh | |||
 | 26-Jan-2023 | tiadinil_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1523.14830058; Eh | |||
 | 26-Jan-2023 | tiadinil_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1523.14330440; Eh |
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