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. |
---|---|---|---|---|---|---|---|---|---|---|---|
17-Oct-2017 | /Solvation/h2o phenol | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -83.21644958; eV | ||||
17-Oct-2017 | /Solvation/h2o B | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -267.66080144; eV | ||||
17-Oct-2017 | /Solvation/h2o 2_methoyxphenol | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -106.12049978; eV | ||||
17-Oct-2017 | /Solvation/h2o G3 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -161.52120731; eV | ||||
17-Oct-2017 | /Solvation/h2o G2 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -154.29293857; eV | ||||
17-Oct-2017 | /Solvation/eg G10 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex | N/A | - | - | -155.72038572; eV | ||||
17-Oct-2017 | /Solvation/h2o A | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -267.69137168; eV | ||||
17-Oct-2017 | /Gas_Geometries G6 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -161.84740664; eV | ||||
17-Oct-2017 | /Gas_Geometries A | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -266.68833229; eV | ||||
17-Oct-2017 | /Gas_Geometries G7 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -162.15483202; eV |
Results 21-30 of 231 (Search time: 0.002 seconds).
Discover
Subject
- 58 3D Perovskites
- 58 Lead free