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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-May-2023 | /Adsorptions/InPd/CO₂-InPd-configurations CO₂-InPd-conf2 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -425.52344005; eV | |||
 | 2-May-2023 | /Adsorptions/InPd/H₂-InPd-configurations H₂-InPd-conf1 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -408.86926164; eV | |||
 | 2-May-2023 | /Adsorptions/InPd/H₂-InPd-configurations H₂-InPd-conf3 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -409.25191650; eV | |||
 | 2-May-2023 | /Adsorptions/InPd/H₂-InPd-configurations H₂-InPd-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -408.89579648; eV | |||
 | 2-May-2023 | /Adsorptions/InPd/H₂-InPd-configurations H₂-InPd-conf2 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -407.97671729; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-InPd₂/H₂-In₈O₁₀-InPd₂-configurations H₂-In₈O₁₀-InPd₂-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -541.40036899; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-InPd₂/H₂-In₈O₁₀-InPd₂-configurations H₂-In₈O₁₀-InPd₂-conf7 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -541.68306629; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-InPd₂/H₂-In₈O₁₀-InPd₂-configurations H₂-In₈O₁₀-InPd₂-conf1 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -542.08668440; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-InPd₂/H₂-In₈O₁₀-InPd₂-configurations H₂-In₈O₁₀-InPd₂-conf5 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -541.66898866; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-InPd₂/H₂-In₈O₁₀-InPd₂-configurations H₂-In₈O₁₀-InPd₂-conf2 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -541.14390863; eV |
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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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