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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_CONF240_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56469006; Eh | |||
 | 22-Sep-2023 | Phorate_CONF204_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56399428; Eh | |||
 | 22-Sep-2023 | Phorate_CONF201_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56396716; Eh | |||
 | 22-Sep-2023 | Phorate_CONF205_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56350541; Eh | |||
 | 22-Sep-2023 | Phorate_CONF184_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56388779; Eh | |||
 | 22-Sep-2023 | Phorate_CONF183_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56376757; Eh | |||
 | 22-Sep-2023 | Phorate_CONF164_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56166085; Eh | |||
 | 22-Sep-2023 | Phorate_CONF160_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56266698; Eh | |||
 | 22-Sep-2023 | Phorate_CONF167_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56193814; Eh | |||
 | 22-Sep-2023 | Phorate_CONF171_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56176323; Eh |
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