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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/In₄O₅-Pd/H₂-In₄O₅-Pd-configurations H₂-In₄O₅-Pd-conf1 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -547.53245499; eV | |||
 | 2-May-2023 | /Adsorptions/In₄O₅-Pd/H₂-In₄O₅-Pd-configurations H₂-In₄O₅-Pd-conf3 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -547.88290989; eV | |||
 | 2-May-2023 | /Adsorptions/In₄O₅-Pd/CO₂-In₄O₅-Pd-configurations CO₂-In₄O₅-Pd-conf1 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -562.75602289; eV | |||
 | 2-May-2023 | /Adsorptions/In₄O₅-Pd/H₂-In₄O₅-Pd-configurations H₂-In₄O₅-Pd-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -547.66658451; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/H₂-In₈O₁₀-Pd-configurations H₂-In₈O₁₀-Pd-conf7 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -594.53309121; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/H₂-In₈O₁₀-Pd-configurations H₂-In₈O₁₀-Pd-conf1 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -594.69510538; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/H₂-In₈O₁₀-Pd-configurations H₂-In₈O₁₀-Pd-conf5 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -594.62835762; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/H₂-In₈O₁₀-Pd-configurations H₂-In₈O₁₀-Pd-conf6 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -594.75008927; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/H₂-In₈O₁₀-Pd-configurations H₂-In₈O₁₀-Pd-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -594.62370312; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/H₂-In₈O₁₀-Pd-configurations H₂-In₈O₁₀-Pd-conf2 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -594.37142620; 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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