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. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-Jan-2017 | /U@C82/U@C82_opt U@C82_9_B_triplet | Roser, Morales | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -26.54272213; Eh | ||||
30-Jan-2017 | /U@C82/U@C82_opt U@C82_9_B_quintet | Roser, Morales | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -26.54172949; Eh | ||||
30-Jan-2017 | /U@C82/U@C82_opt U@C82_5_A_quintet | Roser, Morales | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -26.52517243; Eh | ||||
30-Jan-2017 | /U@C82/U@C82_opt U@C82_5_A_triplet | Roser, Morales | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -26.53972430; Eh |
Results 11-14 of 14 (Search time: 0.0 seconds).
Discover
Subject
Program name
- 14 ADF