Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-May-2023 | /Adsorptions/InPd H₂-InPd | 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 CO-InPd | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -417.99101988; 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/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/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/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/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-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-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 |
Results 28481-28490 of 101953 (Search time: 0.02 seconds).
Discover
Subject
- 13581 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4232 Conformation analysis
- 4232 Electrochemical CO₂ reduction
- 4232 N-Oxides
- 3914 Copper
- next >