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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_CONF418_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56332503; Eh | |||
 | 22-Sep-2023 | Phorate_CONF417_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56342739; Eh | |||
 | 22-Sep-2023 | Phorate_CONF413_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56013406; Eh | |||
 | 22-Sep-2023 | Phorate_CONF420_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56206372; Eh | |||
 | 22-Sep-2023 | Phorate_CONF419_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56338964; Eh | |||
 | 22-Sep-2023 | Phorate_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56152001; Eh | |||
 | 22-Sep-2023 | Phorate_CONF344_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56382772; Eh | |||
 | 22-Sep-2023 | Phorate_CONF309_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56033732; Eh | |||
 | 22-Sep-2023 | Phorate_CONF302_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56158807; Eh | |||
 | 22-Sep-2023 | Phorate_CONF300_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56361001; Eh |
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