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_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67493209; Eh | |||
 | 17-Jan-2023 | eptc_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67251903; 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_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 | pethoxamid_CONF37_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42404292; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF67_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94301110; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF363_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42604687; Eh | |||
 | 17-Jan-2023 | eptc_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67424620; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF384_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42382334; Eh |
Results 31-40 of 8999 (Search time: 0.003 seconds).
Discover
Program name
- 8999 Orca