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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Jan-2023 | eptc_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67593114; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42351026; Eh | |||
 | 17-Jan-2023 | eptc_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67743795; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF57_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94191400; Eh | |||
 | 17-Jan-2023 | eptc_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67607263; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF62_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94282133; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF61_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94194584; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF357_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42343327; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF60_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94158265; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF355_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42359432; Eh |
Results 81-90 of 8999 (Search time: 0.003 seconds).
Discover
Program name
- 8999 Orca