Αποτελέσματα 1 έως 2 από 2
| Τύπος | Ημερομηνία | Τίτλος | Δημιουργός | Πλήρες κείμενο |
| 2022 | The Effect of Geometry, Spin, and Orbital Optimization in Achieving Accurate, Correlated Results for Iron-Sulfur Cubanes | Mejuto-Zaera, Carlos; Tzeli, Demeter; Williams-Young, David; Tubman, Norm M; Matoušek, Mikuláš; Brabec, Jiri; Veis, Libor; Xantheas, Sotiris S; De Jong, Wide A. | |
| 2024 | Importance of Electron Correlation on the Geometry and Electronic Structure of [2Fe-2S] Systems: A Benchmark Study of the [Fe2S2(SCH3)4]2-,3-,4-, [Fe2S2(SCys)4]2-, [Fe2S2(S-p-tol)4]2-, and [Fe2S2(S-o-xyl)4]2- Complexes | Tzeli, Demeter ; Golub, Pavlo; Brabec, Jiri; Matoušek, Mikuláš; Pernal, Katarzyna; Veis, Libor; Raugei, Simone; Xantheas, Sotiris S | |
