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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | Dimer-SCN-singlet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | 6-31+G(D) GENECP | -3406.12992422; Eh | ||
 | Dimer-SCN-triplet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -3406.16191810; Eh | ||
 | Dimer-SCN-quintet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -3406.15977976; Eh | ||
 | Dimer-SCN-septet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -3406.18088343; Eh | ||
 | Dimer-SCN-nonet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -3406.18054914; Eh |
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