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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 29-Nov-2021 | /Oxygen-vacancy/In3MO5 Ir-O-1v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1092.80804555; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In2MO3 Ir-1-3v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1074.96016195; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In3MO3 Au-O-3v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1075.65113329; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In3MO3 Ir-O-3v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1078.97605813; eV | ||||
| 29-Nov-2021 | /In2M2O4 In₂Ag₂O₄ | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1080.21797615; eV | ||||
| 29-Nov-2021 | /In2M2O4 In₂Rh₂O₄ | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1087.76413912; eV | ||||
| 29-Nov-2021 | /Profiles//Profiles In2O3-clean In₂O₃-i14 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1118.66530881; eV | ||||
| 29-Nov-2021 | /Profiles//Profiles In2O3-clean In₂O₃-i25 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1118.98315497; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In3MbrO5 Rh-1-1-1v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1092.74762145; eV | ||||
| 29-Nov-2021 | /Profiles//Profiles In2O3-clean In₂O₃-i03 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1102.92368636; eV |
Results 28341-28350 of 103542 (Search time: 0.016 seconds).
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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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