Lisa+model+chemal+and+gegg+sets+175+link

| Category | Number of Systems | Typical Size | Representative Property | |----------|-------------------|--------------|--------------------------| | | 50 | 10–50 atoms | Reaction energies, conformer rankings | | Inorganic clusters | 30 | 5–30 atoms | Binding affinities, spin states | | Catalytic surfaces | 25 | 30–200 atoms (slab models) | Adsorption energies, activation barriers | | Materials & MOFs | 40 | 50–500 atoms (periodic) | Band gaps, elastic constants | | Biomolecular fragments | 20 | 20–150 atoms | Free‑energy of binding, pKa shifts | | Mixed‑phase systems | 20 | 100–300 atoms (solvent + surface) | Solvation free energies, interfacial tension |

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