Publikationen von Dimitrios Maganas
Alle Typen
Zeitschriftenartikel (31)
2015
Zeitschriftenartikel
54 (20), S. 9948 - 9961 (2015)
Magneto-Structural Correlations in a Series of Pseudotetrahedral [CoII(XR)4]2– Single Molecule Magnets: An ab Initio Ligand Field Study. Inorganic Chemistry
Zeitschriftenartikel
137 (40), S. 12923 - 12928 (2015)
Direct Observation of Very Large Zero-Field Splitting in a Tetrahedral NiIISe4 Coordination Complex. Journal of the American Chemical Society
Zeitschriftenartikel
289-290, S. 177 - 214 (2015)
First principles approach to the electronic structure, magnetic anisotropy and spin relaxation in mononuclear 3d-transition metal single molecule magnets. Coordination Chemistry Reviews 2014
Zeitschriftenartikel
118 (35), S. 20163 - 20175 (2014)
Combined Experimental and Ab Initio Multireference Configuration Interaction Study of the Resonant Inelastic X-ray Scattering Spectrum of CO2. The Journal of Physical Chemistry C
Zeitschriftenartikel
53 (13), S. 6374 - 6385 (2014)
Restricted Open-Shell Configuration Interaction Cluster Calculations of the L-Edge X-ray Absorption Study of TiO2 and CaF2 Solids. Inorganic Chemistry
Zeitschriftenartikel
16 (1), S. 264 - 276 (2014)
L-edge X-ray absorption study of mononuclear vanadium complexes and spectral predictions using a restricted open shell configuration interaction ansatz. Physical Chemistry Chemical Physics 2013
Zeitschriftenartikel
138 (20), 204101 (2013)
A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: Application to transition metal L-edge X-ray absorption spectroscopy. The Journal of Chemical Physics
Zeitschriftenartikel
15 (19), S. 7260 - 7276 (2013)
First principles calculations of the structure and V L-edge X-ray absorption spectra of V2O5 using local pair natural orbital coupled cluster theory and spin–orbit coupled configuration interaction approaches. Physical Chemistry Chemical Physics 2012
Zeitschriftenartikel
51 (13), S. 7218 - 7231 (2012)
Investigating Magnetostructural Correlations in the Pseudooctahedral trans-[NiII{(OPPh2)(EPPh2)N}2(sol)2] Complexes (E = S, Se; sol = DMF, THF) by Magnetometry, HFEPR, and ab Initio Quantum Chemistry. Inorganic Chemistry 2011
Zeitschriftenartikel
50 (18), S. 8741 - 8754 (2011)
Theoretical Analysis of the Spin Hamiltonian Parameters in Co(II)S4 Complexes, Using Density Functional Theory and Correlated ab initio Methods. Inorganic Chemistry 2010
Zeitschriftenartikel
49 (11), S. 5079 - 5093 (2010)
Tetrahedral and Square Planar Ni[(SPR2)2N]2 complexes, R = Ph & iPr Revisited: Experimental and Theoretical Analysis of Interconversion Pathways, Structural Preferences, and Spin Delocalization. Inorganic Chemistry