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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Jan-2023 | methiozolin_CONF119_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18483863; Eh | |||
 | 18-Jan-2023 | methiozolin_CONF106_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18338015; Eh | |||
 | 18-Jan-2023 | methiozolin_CONF104_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18149009; Eh | |||
 | 18-Jan-2023 | methiozolin_CONF98_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.19340223; Eh | |||
 | 18-Jan-2023 | methiozolin_CONF97_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18966183; Eh | |||
 | 18-Jan-2023 | methiozolin_CONF122_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18504787; Eh | |||
 | 18-Jan-2023 | methiozolin_CONF117_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18344999; Eh | |||
 | 18-Jan-2023 | methiozolin_CONF116_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18343256; Eh | |||
 | 18-Jan-2023 | methiozolin_CONF107_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18336964; Eh | |||
 | 18-Jan-2023 | methiozolin_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18212841; Eh |
Results 871-880 of 884 (Search time: 0.001 seconds).