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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
2-Apr-2020 | C_singlet_(Cu-N2O2) | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | SDD 6-31G** 6-31+G* GEN | -2398.99196787; Eh | ||||
2-Apr-2020 | A_singlet_(Cu-NCCH3) | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | SDD 6-31G** 6-31+G* GEN | -2271.97575806; Eh |
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