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Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
Fe2O(Cl)2(Lcyc)2-singlet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | 6-31+G(D) GENECP | -3419.43427780; Eh | |||
Fe2O(Cl)2(Lcyc)2-triplet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -3419.47172144; Eh | |||
Fe2O(Cl)2(Lcyc)2-quintet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -3419.47978876; Eh | |||
Fe2O(Cl)2(Lcyc)2-septet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -3419.48318104; Eh | |||
Fe2O(Cl)2(Lcyc)2-nonet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -3419.50447170; Eh | |||
Fe2O(Cl)2(Lcyc)2-11e | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -3419.51850736; Eh |
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