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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)_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)_2xOvac10 | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1079.95778292; eV | |||
 | 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)_Ovac_subsurf1 | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1087.60259803; eV | |||
 | 20-Jul-2017 | /surfaces In2O3(111)_Ovac_subsurf3 | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1087.02769572; eV | |||
 | 20-Jul-2017 | /surfaces In2O3(111)_Ovac_subsurf2 | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1087.48699974; eV | |||
 | 20-Jul-2017 | /surfaces In2O3(111)_Ovac_adIn | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1090.94929052; eV | |||
 | 20-Jul-2017 | /surfaces In2O3(111)_2xOvac6 | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1079.92477446; eV | |||
 | 20-Jul-2017 | /surfaces In2O3(111)_2xOvac8 | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1080.15529346; eV |
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Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
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