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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /model_system E | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -2638.5010302; Eh | ||
 | /model_system TS-EFlact | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -2638.5077286; Eh | ||
 | /model_system Flact | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -2638.5101802; Eh | ||
 | /model_system TS-FGlact | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -2638.4959369; Eh | ||
 | /model_system Glact | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -2638.5023683; Eh | ||
 | /model_system TS-GHlact | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -2638.490293; Eh | ||
 | /model_system TS-EFoct | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -2638.5068061; Eh | ||
 | /model_system Foct | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -2638.5059769; Eh | ||
 | /model_system TS-FGoct | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | - | CC-PVTZ | -2638.49542302; Eh | ||
 | /model_system Goct | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -2638.4951479; Eh | ||
 | /model_system TS-GHoct | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -2638.4855018; Eh |
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