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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 | /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 | /Oxygen-vacancy/In3MO3 Ni-O-3v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1076.43058511; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In3MO4 Pd-O-2v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1085.03689536; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In2MO3 Pd-1-3v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1073.14731855; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In3MO5 Ru-O-1v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1092.67208154; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In2MO3 Au-2-3v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1070.70022734; eV | ||||
| 29-Nov-2021 | /Adatoms/Three-fold Ir-5-6-7 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1098.59706379; eV | ||||
| 29-Nov-2021 | /Oxygen-vacancy/In2MO5 Co-2-1v | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1090.94506716; eV | ||||
| 29-Nov-2021 | /Profiles/Pd-In2O3 Pd-In₂O₃-i16 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1124.36272781; eV |
Results 31921-31930 of 104512 (Search time: 0.02 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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