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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-Aug-2018 | SP_MECP_VIII_triplet | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UBP86 | 6-31g(d); sdd | -1386.11441752; Eh | ||||
30-Aug-2018 | SP_MECP_III_triplet | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UBP86 | 6-31g(d); sdd | -1038.07588453; Eh |
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