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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Apr-2020 | B_doublet_cationic_(Cu-NO) | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | SDD 6-31G** 6-31+G* GEN | -1844.40179659; Eh | |||
 | 2-Apr-2020 | C_open_singlet_(Cu-N2O2) | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | UB3LYP | SDD 6-31G** 6-31+G* GEN | -2398.99877796; Eh | |||
 | 2-Apr-2020 | C_triplet_(Cu-N2O2) | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | SDD 6-31G** 6-31+G* GEN | -2399.00105697; Eh | |||
 | 2-Apr-2020 | B-3_doublet_(Cu-NO) | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | SDD 6-31G** 6-31+G* GEN | -2269.07434112; Eh |
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