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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Aug-2025 | Quinoxaline_equatorial_complex-methylene_down | Ballester, Pablo | - | Geometry optimization | DFT | def2-SVP | -4139.932357706; Eh | |||
| 8-Aug-2025 | Quinoxailine-axial_comple-methylene_down | Ballester, Pablo | - | Geometry optimization | DFT | def2-SVP | -4139.977828341; Eh | |||
| 8-Aug-2025 | TS | Ballester, Pablo | TURBOMOLE; 7.0 | Geometry optimization TS | DFT | def-SV(P) | -4139.275243503; Eh |
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- 10601 Heterogeneous catalysis
- 9523 Adsorption
- 9253 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4232 Conformation analysis
- 4232 N-Oxides
- 4163 Electrochemical CO₂ reduction
- 3859 Copper
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