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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_CONF149_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35105045; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF124_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35162289; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35228682; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF503_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.34949405; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF556_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.34846521; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF566_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.34854173; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF50_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35168667; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF64_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35093676; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF549_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.34814540; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF52_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35168072; Eh |
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