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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2025 | pyributicarb_CONF34_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.39422739; Eh | |||
 | 19-Mar-2025 | pyributicarb_CONF35_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.39430157; Eh | |||
 | 19-Mar-2025 | pyributicarb_CONF68_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.39695770; Eh | |||
 | 19-Mar-2025 | pyributicarb_CONF72_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.39683201; Eh | |||
 | 19-Mar-2025 | pyributicarb_CONF37_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.39413227; Eh | |||
 | 19-Mar-2025 | pyributicarb_CONF49_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.39680443; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF271_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.34288323; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF272_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.34084717; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF250_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.34153569; Eh | |||
 | 19-Mar-2025 | pelargonic-acid_CONF251_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.34259978; Eh |
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