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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
NCS | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | 6-31+G(D) GENECP | -491.204410334; Eh |
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