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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_CONF256_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56324904; Eh | |||
 | 22-Sep-2023 | Phorate_CONF269_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56270919; Eh | |||
 | 22-Sep-2023 | Phorate_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56353452; Eh | |||
 | 22-Sep-2023 | Phorate_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56357682; Eh | |||
 | 22-Sep-2023 | Phorate_CONF112_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56352067; Eh | |||
 | 22-Sep-2023 | Phorate_CONF129_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56135916; Eh | |||
 | 22-Sep-2023 | Phorate_CONF115_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56271254; Eh | |||
 | 22-Sep-2023 | Phorate_CONF114_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56275571; Eh | |||
 | 22-Sep-2023 | Phorate_CONF126_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56165826; Eh | |||
 | 22-Sep-2023 | Phorate_CONF123_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56146619; Eh |
Results 78791-78800 of 78833 (Search time: 0.062 seconds).