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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/In₈O₁₀-Pd H₂-In₈O₁₀-Pd | 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/CO-In₈O₁₀-Pd-configurations CO-In₈O₁₀-Pd-conf1 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -602.55241190; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/CO-In₈O₁₀-Pd-configurations CO-In₈O₁₀-Pd-conf2 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -602.62714016; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/CO-In₈O₁₀-Pd-configurations CO-In₈O₁₀-Pd-conf3 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -602.26286121; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/CO-In₈O₁₀-Pd-configurations CO-In₈O₁₀-Pd-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -602.39432556; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/CO-In₈O₁₀-Pd-configurations CO-In₈O₁₀-Pd-conf5 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -602.85294875; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/CO-In₈O₁₀-Pd-configurations CO-In₈O₁₀-Pd-conf6 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -602.38542509; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/CO-In₈O₁₀-Pd-configurations CO-In₈O₁₀-Pd-conf7 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -602.36648010; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/CO₂-In₈O₁₀-Pd-configurations CO₂-In₈O₁₀-Pd-conf1 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -609.90183378; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/CO₂-In₈O₁₀-Pd-configurations CO₂-In₈O₁₀-Pd-conf2 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -609.57182779; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/CO₂-In₈O₁₀-Pd-configurations CO₂-In₈O₁₀-Pd-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -585.94580973; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/CO₂-In₈O₁₀-Pd-configurations CO₂-In₈O₁₀-Pd-conf5 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -609.54855246; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/CO₂-In₈O₁₀-Pd-configurations CO₂-In₈O₁₀-Pd-conf6 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -609.80869008; eV | |||
 | 2-May-2023 | /Adsorptions/In₈O₁₀-Pd/CO₂-In₈O₁₀-Pd-configurations CO₂-In₈O₁₀-Pd-conf7 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -609.46478548; 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-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 | |||
 | 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-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-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 |