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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 29-Nov-2021 | /Profiles/Ru-In2O3 Ru-In₂O₃-i17 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1125.52255044; eV | ||||
| 29-Nov-2021 | /Profiles/Ru-In2O3 Ru-In₂O₃-i07 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1101.37475046; eV | ||||
| 29-Nov-2021 | /Profiles/Ru-In2O3 Ru-In₂O₃-i06 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1100.82672991; eV | ||||
| 29-Nov-2021 | /Profiles/Ru-In2O3 Ru-In₂O₃-i21 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1109.68713224; eV | ||||
| 29-Nov-2021 | /Profiles/Ir-In2O3 Ir-In₂O₃-i03 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1108.08846539; eV | ||||
| 29-Nov-2021 | /Profiles/Ru-In2O3 Ru-In₂O₃-i09 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1100.59518709; eV | ||||
| 29-Nov-2021 | /Profiles/Ni-In2O3 Ni-In₂O₃-i32 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1115.06023794; eV | ||||
| 29-Nov-2021 | /Profiles/Ni-In2O3 Ni-In₂O₃-i25 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1114.78007180; eV | ||||
| 29-Nov-2021 | /Profiles/Rh-In2O3 Rh-In₂O₃-i25 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1116.41763577; eV | ||||
| 29-Nov-2021 | /Profiles/Rh-In2O3 Rh-In₂O₃-i32 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1116.75772603; eV |
Results 71061-71070 of 104445 (Search time: 0.044 seconds).
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- 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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