Browsing by Author L, Bruce
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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
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24-Apr-2024 | Au40(MET)24_nanoclusters | L, Bruce | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | - |