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_CONF55_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47575611; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF63_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47559336; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF74_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47528703; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF71_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47528794; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF86_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47468057; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF88_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47607165; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47650121; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50429179; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50510872; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50423663; Eh |
Results 21-30 of 138 (Search time: 0.001 seconds).
Discover
Calculation type