Search
Add filters:
Use filters to refine the search results.
- previous
- 1
- next
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Nov-2020 | GD3Fe4OH_7_21freq | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -7000.88386026; Eh | |||
 | 20-Nov-2020 | Fe4-SK-OHiOH_-8_21 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -6999.95930590; Eh | |||
 | 20-Nov-2020 | Fe4-SK-OH_-7_21 | Besora, Maria | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | UB3LYP | LANL2DZ 6-31G(D,P) GENECP | -7000.42562932; Eh |
Results 1-3 of 3 (Search time: 0.001 seconds).
Discover
Method
- 3 UB3LYP