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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Mar-2023 | dichlofluanid_CONF42_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2426.22516195; Eh | |||
 | 6-Mar-2023 | methasulfocarb_CONF30_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.71241869; Eh | |||
 | 6-Mar-2023 | methasulfocarb_CONF37_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.71243275; Eh | |||
 | 6-Mar-2023 | methasulfocarb_CONF39_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.71343460; Eh | |||
 | 6-Mar-2023 | methasulfocarb_CONF32_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.71340843; Eh | |||
 | 6-Mar-2023 | tolylfluanid_CONF71_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2465.56687299; Eh | |||
 | 6-Mar-2023 | tolylfluanid_CONF24_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2465.56200765; Eh | |||
 | 6-Mar-2023 | tolylfluanid_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2465.56200958; Eh | |||
 | 6-Mar-2023 | tolylfluanid_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2465.56197414; Eh | |||
 | 6-Mar-2023 | tolylfluanid_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2465.56345474; Eh |
Results 31-40 of 273 (Search time: 0.001 seconds).
Discover
Calculation type
- 273 Single point