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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Apr-2023 | Alizarin_neutral_opt+freq | Berraud-Pache, Romain | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | DFT | def2-tzvp; def2-tzvp/C | -838.48395279; Eh | |||
 | 24-Jun-2023 | NBH | Alvarado-Huayhuaz, Jesus | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-TZVP | -679.96846887; Eh | |||
 | 24-Jun-2023 | BH | Alvarado-Huayhuaz, Jesus | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-TZVP | -475.45388645; Eh | |||
 | 24-Apr-2024 | Au40(MET)24_nanoclusters | L, Bruce | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | - |
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