화학공학소재연구정보센터
검색결과 : 37건
No. Article
1 Electronic Structure and Photoluminescence Properties of EU(eta(9)-C9H9)(2)
Ramanantoanina H, Merzoud L, Muya JT, Chermette H, Daul C
Journal of Physical Chemistry A, 124(1), 152, 2020
2 Photon cascade emission in Pr3+ doped fluorides with CaF2 structure: Application of a model for its prediction
Herden B, Garcia-Fuente A, Ramanantoanina H, Justel T, Daul C, Urland W
Chemical Physics Letters, 620, 34, 2015
3 A ligand field theory-based methodology for the characterization of the Eu2+ [Xe]4f(6)5d(1) excited states in solid state compounds
Garcia-Fuente A, Cimpoesu F, Ramanantoanina H, Herden B, Daul C, Suta M, Wickleder C, Urland W
Chemical Physics Letters, 622, 120, 2015
4 Prospecting Lighting Applications with Ligand Field Tools and Density Functional Theory: A First-Principles Account of the 4f(7)-4f(6)5d(1) Luminescence of CsMgBr3:Eu2+
Ramanantoanina H, Cimpoesu F, Gottel C, Sahnoun M, Herden B, Suta M, Wickleder C, Urland W, Daul C
Inorganic Chemistry, 54(17), 8319, 2015
5 Electronic structure and magnetic properties of lanthanide 3+cations
Kurzen H, Bovigny L, Bulloni C, Daul C
Chemical Physics Letters, 574, 129, 2013
6 Calculation of the 4f(1) -> 4f(0)5d(1) transitions in Ce3+-doped systems by Ligand Field Density Functional Theory
Ramanantoanina H, Urland W, Garcia-Fuente A, Cimpoesu F, Daul C
Chemical Physics Letters, 588, 260, 2013
7 Treatment of the Multimode Jahn-Teller Problem in Small Aromatic Radicals
Gruden-Pavlovic M, Garcia-Fernandez P, Andjelkovic L, Daul C, Zlatar M
Journal of Physical Chemistry A, 115(39), 10801, 2011
8 Electron-structure calculations and bond order analysis using density functional theory of cationic dinuclear arene ruthenium complexes
Fowe EP, Therrien B, Suss-Fink G, Daul C
Inorganic Chemistry, 47(1), 42, 2008
9 A theoretical characterization of covalency in rare earth complexes through their absorption electronic properties: f-f transitions
Petit L, Borel A, Daul C, Maldivi P, Adamo C
Inorganic Chemistry, 45(18), 7382, 2006
10 Ground states, excited states, and metal-ligand bonding in rare earth hexachloro complexes: A DFT-based ligand field study
Atanasov M, Daul C, Gudel HU, Wesolowski TA, Zbiri M
Inorganic Chemistry, 44(8), 2954, 2005