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_CONF68_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47643082; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF79_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47575562; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF80_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47590918; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50602040; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50583759; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50381263; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50534153; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.49893014; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.49878865; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50271648; Eh |
Results 101-110 of 123 (Search time: 0.001 seconds).