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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2023 | chlozolinate_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.45353077; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.45367568; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.45285552; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.45282191; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.45266068; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.45267491; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.45397341; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.45233922; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.47397249; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.47409590; Eh |
Results 1-10 of 114 (Search time: 0.0 seconds).
Discover
Program name
- 114 Orca