Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Sep-2023 | Phorate_CONF355_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.55832583; Eh | |||
 | 22-Sep-2023 | Phorate_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56194321; Eh | |||
 | 22-Sep-2023 | Phorate_CONF340_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.55956629; Eh | |||
 | 22-Sep-2023 | Phorate_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56332806; Eh | |||
 | 22-Sep-2023 | Phorate_CONF343_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56253811; Eh | |||
 | 22-Sep-2023 | Phorate_CONF260_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56159898; Eh | |||
 | 22-Sep-2023 | Phorate_CONF259_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56107058; Eh | |||
 | 22-Sep-2023 | Phorate_CONF255_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56371166; Eh | |||
 | 22-Sep-2023 | Phorate_CONF251_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.55976494; Eh | |||
 | 22-Sep-2023 | Phorate_CONF267_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.56091739; Eh |
Results 78781-78790 of 78833 (Search time: 0.068 seconds).