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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-May-2023 | tetflupyrolimet_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.21887338; Eh | |||
 | 25-May-2023 | tetflupyrolimet_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.21905685; Eh | |||
 | 25-May-2023 | tetflupyrolimet_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.20464692; Eh | |||
 | 25-May-2023 | tetflupyrolimet_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.20350385; Eh | |||
 | 25-May-2023 | tetflupyrolimet_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.20069830; Eh | |||
 | 25-May-2023 | tetflupyrolimet_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.20383839; Eh | |||
 | 25-May-2023 | tetflupyrolimet_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.20054126; Eh | |||
 | 25-May-2023 | tetflupyrolimet_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.19957089; Eh | |||
 | 25-May-2023 | tetflupyrolimet_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.20038701; Eh | |||
 | 25-May-2023 | tetflupyrolimet_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.20030443; Eh |
Results 1-10 of 75 (Search time: 0.001 seconds).
Discover
Calculation type
- 75 Single point