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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_CONF276_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.34891909; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF298_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.34992253; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF306_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.34978173; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35245407; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF297_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35018641; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35417825; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF77_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35124709; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF74_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35117706; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF76_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35011744; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35276755; Eh |
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