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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Sep-2023 | Phorate_CONF299_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56181380; Eh | |||
 | 22-Sep-2023 | Phorate_CONF297_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56143585; Eh | |||
 | 22-Sep-2023 | Phorate_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56328543; Eh | |||
 | 22-Sep-2023 | Phorate_CONF293_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56208253; Eh | |||
 | 22-Sep-2023 | Phorate_CONF294_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56351872; Eh | |||
 | 22-Sep-2023 | Phorate_CONF283_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56226755; Eh | |||
 | 22-Sep-2023 | Phorate_CONF281_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56232122; Eh | |||
 | 22-Sep-2023 | Phorate_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56353452; Eh | |||
 | 22-Sep-2023 | Phorate_CONF251_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.55976494; Eh | |||
 | 22-Sep-2023 | Phorate_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56107323; Eh |
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