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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Jan-2023 | carpropamid_CONF78_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.13639670; Eh | |||
 | 19-Jan-2023 | carpropamid_CONF79_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.13561979; Eh | |||
 | 19-Jan-2023 | carpropamid_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.13557589; Eh | |||
 | 19-Jan-2023 | carpropamid_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.13496185; Eh | |||
 | 19-Jan-2023 | carpropamid_CONF60_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.13622701; Eh | |||
 | 19-Jan-2023 | carpropamid_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.13498418; Eh | |||
 | 19-Jan-2023 | carpropamid_CONF76_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.13620667; Eh | |||
 | 19-Jan-2023 | carpropamid_CONF122_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.12343239; Eh | |||
 | 19-Jan-2023 | carpropamid_CONF110_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.12151984; Eh | |||
 | 19-Jan-2023 | carpropamid_CONF113_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.12471617; Eh |
Results 31-40 of 1179 (Search time: 0.001 seconds).
Discover
Program name
- 1179 Orca