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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | Fe(Lopen)(MeCN)-doublet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1344.63949228; Eh | ||
 | Fe(Lopen)(MeCN)-quartet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1344.62582785; Eh | ||
 | Fe(Lopen)(MeCN)-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1344.64177602; Eh | ||
 | Fe(Lcyc)(MeCN)-doublet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1344.61774474; Eh | ||
 | Fe(Lcyc)(MeCN)-quartet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1344.62976624; Eh | ||
 | Fe(Lcyc)(MeCN)-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1344.63704599; Eh |
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