Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-Aug-2018 | large_basis_A-6-I_NiIITMe2_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G(d,p) | -948.038890059; Eh | ||||
30-Aug-2018 | large_basis_NiCODITMe_NiCODITMe_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -865.091088505; Eh | ||||
30-Aug-2018 | large_basis_NiCODIXy_NiCODIXy_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -1327.34590008; Eh |
Results 161-163 of 163 (Search time: 0.001 seconds).
Discover
Program name
- 163 Gaussian
Calculation type