Αποτελέσματα 1 έως 7 από 7
| Τύπος | Ημερομηνία | Τίτλος | Δημιουργός | Πλήρες κείμενο |
| 2021 | Quantitative Account of the Bonding Properties of a Rubredoxin Model Complex [Fe(SCH3)4]q, q = -2, -1, +2, +3 | Tzeli, Demeter; Raugei, Simone; Xantheas, Sotiris S | |
| 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. | |
| 2022 | Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported "first row anomaly" in XHn (X = C, Si, Ge, Sn; n = 1-4) | Tzeli, Demeter; Xantheas, Sotiris S | |
| 2022 | The many-body expansion for metals. I. The alkaline earth metals Be, Mg, and Ca | Mato, Joani; Tzeli, Demeter ; Xantheas, Sotiris S | |
| 2023 | Many-body expansion for light nuclear systems | Depastas, Theodore; Souliotis, George A. ; Tzeli, Demeter ; Xantheas, Sotiris S | |
| 2024 | Erratum: "Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported 'first row anomaly' in XHn (X = C, Si, Ge, Sn; n = 1-4)" [J. Chem. Phys. 156, 244303 (2022)] | Tzeli, Demeter ; Xantheas, Sotiris S | |
| 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 | |
