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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-May-2023 | cyclopyrimorate_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.49945769; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.49946518; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50003806; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF86_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.49935398; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.49939450; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF88_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.49937226; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF49_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47552297; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF56_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47666332; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF58_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47673606; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF59_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47545600; Eh |
Results 91-100 of 123 (Search time: 0.001 seconds).