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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_CONF662_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56309371; Eh | |||
 | 22-Sep-2023 | Phorate_CONF658_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56299542; Eh | |||
 | 22-Sep-2023 | Phorate_CONF664_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56263274; Eh | |||
 | 22-Sep-2023 | Phorate_CONF684_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56393618; Eh | |||
 | 22-Sep-2023 | Phorate_CONF667_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56271425; Eh | |||
 | 22-Sep-2023 | Phorate_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56356777; Eh | |||
 | 22-Sep-2023 | Phorate_CONF565_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56402409; Eh | |||
 | 22-Sep-2023 | Phorate_CONF558_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56328579; Eh | |||
 | 22-Sep-2023 | Phorate_CONF554_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56005149; Eh | |||
 | 22-Sep-2023 | Phorate_CONF564_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56404076; Eh |
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