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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2025 | pelargonic-acid_CONF259_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35698207; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF237_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35758030; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35799210; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF27_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35984173; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF132_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35094688; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF130_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35156004; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF150_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35213065; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF151_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35081760; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35246904; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF144_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35078386; Eh |
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