Browsing by Author Mariusz, Radon
Showing results 186 to 187 of 187
< previous
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Jun-2020 | /zinc_site zn_nch5_oh | Mariusz, Radon | TURBOMOLE; 7.4.1 | Geometry optimization TS | DFT | def2-TZVP | -2321.629071424; Eh | ||||
1-Jun-2020 | /zinc_site zn_nch5_oh2 | Mariusz, Radon | TURBOMOLE; 7.4.1 | Geometry optimization TS | DFT | def2-TZVP | -2322.096121338; Eh |