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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 20-Jul-2017 | /surfaces In2O3(111)_2xOvac7 | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1080.31366937; eV | ||||
| 20-Jul-2017 | /surfaces In2O3(111)_2xOvac9 | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1080.15566247; eV | ||||
| 20-Jul-2017 | /surfaces In2O3(111)_Ovac4 | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1087.04122152; eV | ||||
| 20-Jul-2017 | /surfaces In2O3(111)_2xOvac1 | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1080.05393331; eV | ||||
| 20-Jul-2017 | /surfaces In2O3(111)_adIn10 | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1098.25460778; eV | ||||
| 20-Jul-2017 | /surfaces In2O3(111)_adIn1 | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1098.51650407; eV | ||||
| 20-Jul-2017 | /surfaces In2O3(111)_adIn9 | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1097.70172702; eV | ||||
| 20-Jul-2017 | /surfaces In2O3(111)_2xadIn | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1101.58166388; eV | ||||
| 20-Jul-2017 | /surfaces In2O3(111)_adIn2 | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1098.51646865; eV | ||||
| 20-Jul-2017 | /surfaces In2O3(111)_Ovac2 | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1087.97928537; eV |
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Subject
- 10601 Heterogeneous catalysis
- 9523 Adsorption
- 9253 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4232 Conformation analysis
- 4232 N-Oxides
- 4163 Electrochemical CO₂ reduction
- 3859 Copper
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