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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_CONF163_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56002881; Eh | |||
 | 22-Sep-2023 | Phorate_CONF161_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56264914; Eh | |||
 | 22-Sep-2023 | Phorate_CONF166_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56313763; Eh | |||
 | 22-Sep-2023 | Phorate_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56314010; Eh | |||
 | 22-Sep-2023 | Phorate_CONF781_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.54571189; Eh | |||
 | 22-Sep-2023 | Phorate_CONF798_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.54786047; Eh | |||
 | 22-Sep-2023 | Phorate_CONF90_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.54483815; Eh | |||
 | 22-Sep-2023 | Phorate_CONF82_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.54619045; Eh | |||
 | 22-Sep-2023 | Phorate_CONF86_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.54497685; Eh | |||
 | 22-Sep-2023 | Phorate_CONF802_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.54737127; Eh |
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