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. |
---|---|---|---|---|---|---|---|---|---|---|---|
24-Sep-2016 | Ag4-Pd13-nowat | Lang, Zhong Ling | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | UB3LYP | - | -23109.1932097; Eh | ||||
24-Sep-2016 | Ag4-Pd13-water-opt | Lang, Zhong Ling | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | UB3LYP | - | -24026.5495118; Eh | ||||
24-Sep-2016 | Ag2-Pd13-opt | Lang, Zhong Ling | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | UB3LYP | - | -23276.4880449; Eh | ||||
24-Sep-2016 | Ag1-Pd13-opt | Lang, Zhong Ling | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | UB3LYP | - | -22901.4455916; Eh | ||||
24-Sep-2016 | Ag3-Pd15-opt | Lang, Zhong Ling | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RB3LYP | - | -9517.18803180; Eh | ||||
24-Sep-2016 | MgPd12AgNa3_nowat-opt | Lang, Zhong Ling | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RB3LYP | - | -23232.4542874; Eh |
Results 1-6 of 6 (Search time: 0.0 seconds).