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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_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56251330; Eh | |||
 | 22-Sep-2023 | Phorate_CONF552_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56369797; Eh | |||
 | 22-Sep-2023 | Phorate_CONF570_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56434000; Eh | |||
 | 22-Sep-2023 | Phorate_CONF569_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56432909; Eh | |||
 | 22-Sep-2023 | Phorate_CONF57_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56390032; Eh | |||
 | 22-Sep-2023 | Phorate_CONF498_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56156891; Eh | |||
 | 22-Sep-2023 | Phorate_CONF494_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56200202; Eh | |||
 | 22-Sep-2023 | Phorate_CONF412_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56015936; Eh | |||
 | 22-Sep-2023 | Phorate_CONF422_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56367063; Eh | |||
 | 22-Sep-2023 | Phorate_CONF421_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56398432; Eh |
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