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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /model_system Ilact | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -2483.380645; Eh | ||
 | /model_system TS-IJlact | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -2483.3735236; Eh | ||
 | /model_system Jlact | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -2483.3858754; Eh | ||
 | /model_system TS-JKlact | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -2483.378234; Eh | ||
 | /model_system Klact | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -2483.3871167; Eh | ||
 | /model_system TS-KAlact | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -2483.3770997; Eh |
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