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. |
---|---|---|---|---|---|---|---|---|---|---|---|
11-Apr-2017 | /Ni3P2/opt ts_3b4b | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -578.03189124; eV | ||||
11-Apr-2017 | /Ni3P2/opt 2x2 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -527.05352275; eV | ||||
11-Apr-2017 | /Ni3P2/freq OH | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -537.23146038; eV |
Results 11-13 of 13 (Search time: 0.002 seconds).
Discover
Subject
- 13 Ammonia-Borane
- 13 DFT
- 13 Ni2P
- 13 NiCoP