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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_CONF120_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56429006; Eh | |||
 | 22-Sep-2023 | Phorate_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56108344; Eh | |||
 | 22-Sep-2023 | Phorate_CONF111_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56352035; Eh | |||
 | 22-Sep-2023 | Phorate_CONF628_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.54487724; Eh | |||
 | 22-Sep-2023 | Phorate_CONF631_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.54130342; Eh | |||
 | 22-Sep-2023 | Phorate_CONF630_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.54365808; Eh | |||
 | 22-Sep-2023 | Phorate_CONF643_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.54588958; Eh | |||
 | 22-Sep-2023 | Phorate_CONF642_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.54315426; Eh | |||
 | 22-Sep-2023 | Phorate_CONF626_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.54372181; Eh | |||
 | 22-Sep-2023 | Phorate_CONF648_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.54523612; Eh |
Results 78801-78810 of 78833 (Search time: 0.059 seconds).