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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Sep-2022 | Ru_KP_Me_DMFA_1c | Novotny, Jan | ADF; 2019 | Single point | PBE0 == Not Default == | TZ2P | - | |||
 | 12-Sep-2022 | Ru_KP_CN_DMFA_1c | Novotny, Jan | ADF; 2019 | Single point | PBE0 == Not Default == | TZ2P | - | |||
 | 12-Sep-2022 | Ru_KP_Me_DMFA_2c+4c | Novotny, Jan | ADF; 2019 | Single point | PBE0 == Not Default == | TZ2P | - | |||
 | 12-Sep-2022 | Ru_KP_OXMe_2aq_2c | Novotny, Jan | ADF; 2019 | Single point | PBE0 == Not Default == | TZ2P | - | |||
 | 9-Jun-2017 | /Atoms Fe2 | Swart, Marcel | ADF; | Single point | DFT | TZ2P | - | |||
 | 9-Jun-2017 | /Lv3 Lv3_sp | Swart, Marcel | ADF; 2017 | Single point | DFT | TZ2P | - | |||
 | 9-Jun-2017 | /Atoms Co1 | Swart, Marcel | ADF; | Single point | DFT | TZ2P | - | |||
 | 9-Jun-2017 | /Atoms V3 | Swart, Marcel | ADF; | Single point | DFT | TZ2P | - | |||
 | 9-Jun-2017 | /Atoms Fe4 | Swart, Marcel | ADF; | Single point | DFT | TZ2P | - | |||
 | 9-Jun-2017 | /Atoms V1 | Swart, Marcel | ADF; | Single point | DFT | TZ2P | - |
Results 11-20 of 40 (Search time: 0.001 seconds).
Discover
Subject
- 4 DFT
- 4 Hafnium
- 4 Luminescence
Method
- 18 PBE0 ...
- 10 DFT
- 4 M06-2X ...
- 4 PBEc revPBEx
- 4 |||