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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_CONF41_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -504.35180336; Eh | |||
 | 19-Mar-2025 | oxaziclomefone_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1899.30233266; Eh | |||
 | 19-Mar-2025 | oxaziclomefone_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1899.29043106; Eh | |||
 | 19-Mar-2025 | oxaziclomefone_CONF22_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1899.29019799; Eh | |||
 | 19-Mar-2025 | oxaziclomefone_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1899.28975373; Eh | |||
 | 19-Mar-2025 | oxaziclomefone_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1899.29048842; Eh | |||
 | 19-Mar-2025 | oxaziclomefone_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1899.29009364; Eh | |||
 | 19-Mar-2025 | oxaziclomefone_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1899.29070853; Eh | |||
 | 19-Mar-2025 | oxaziclomefone_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1899.29055748; Eh | |||
 | 19-Mar-2025 | oxaziclomefone_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1899.29046548; Eh |
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