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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_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.34954404; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35298441; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF429_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.34950928; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF438_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.34914216; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF44_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.34924859; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF396_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.34893708; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF381_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35018217; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF379_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35019543; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF375_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.34929077; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35070951; Eh |
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