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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
11-Apr-2017 | /NiCo2P2/freq 3B4 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Frequencies | - | - | -638.73632840; eV | ||||
11-Apr-2017 | /NiCo2P2/freq BNH6 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Frequencies | - | - | -624.35009694; eV | ||||
11-Apr-2017 | /NiCo2P2/freq H_hollow | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Frequencies | - | - | -590.05499587; eV | ||||
11-Apr-2017 | /NiCo2P2/freq h2o_2_is | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Frequencies | - | - | -608.19720371; eV | ||||
11-Apr-2017 | /NiCo2P2/freq H2O | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Frequencies | - | - | -600.53564113; eV | ||||
11-Apr-2017 | /NiCo2P2/freq H2 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Frequencies | - | - | -593.30511964; eV | ||||
11-Apr-2017 | /Ni3P2/freq ts_7b6b | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Frequencies | - | - | -571.33331316; eV | ||||
11-Apr-2017 | /Ni3P2/freq 4B4 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Frequencies | - | - | -578.30110044; eV | ||||
11-Apr-2017 | /Ni3P2/freq ts_h2o_1 | Li, Qiang | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Frequencies | - | - | -539.58762080; eV | ||||
11-Apr-2017 | /Ni3P2/freq ts_4b_h | Li, Qiang | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Frequencies | - | - | -577.83794743; eV |
Results 11-20 of 30 (Search time: 0.002 seconds).
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- 30 Ammonia-Borane
- 30 DFT
- 30 Ni2P
- 30 NiCoP
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- 30 vasp