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 | cafenstrole_CONF69_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94316379; Eh | |||
 | 17-Jan-2023 | eptc_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67262468; Eh | |||
 | 17-Jan-2023 | eptc_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67413027; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94283606; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF384_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42382334; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF377_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42677234; Eh | |||
 | 17-Jan-2023 | eptc_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67580427; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF68_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94298789; Eh | |||
 | 17-Jan-2023 | eptc_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67287049; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF65_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94281875; Eh |
Results 41-50 of 8999 (Search time: 0.002 seconds).
Discover
Program name
- 8999 Orca