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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 30-May-2021 | /benchmarking/CAM_B3LYP_D3_6_311+Gdp COD | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) GENECP | -311.9417672; Eh | |||
![]() | 30-May-2021 | /benchmarking/CAM_B3LYP_D3BJ_6_311+Gdp dppf | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) GENECP | -3258.655317; Eh |
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