about
Engineering the magnetic coupling and anisotropy at the molecule-magnetic surface interface in molecular spintronic devicesTheoretical determination of spin Hamiltonians with isotropic and anisotropic magnetic interactions in transition metal and lanthanide complexes.Design of a Binuclear Ni(II) Complex with Large Ising-type Anisotropy and Weak Anti-Ferromagnetic Coupling.Unraveling σ and π Effects on Magnetic Anisotropy in cis-NiA4 B2 Complexes: Magnetization, HF-HFEPR Studies, First-Principles Calculations, and Orbital Modeling.Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians.Additive Decomposition of the Physical Components of the Magnetic Coupling from Broken Symmetry Density Functional Theory Calculations.In Search of Organic Compounds Presenting a Double Exchange Phenomenon.Magnetic interactions in molecules and highly correlated materials: physical content, analytical derivation, and rigorous extraction of magnetic Hamiltonians.Origin of the magnetic anisotropy in heptacoordinate Ni(II) and Co(II) complexes.Synthesis and theoretical study of a series of dipalladium(I) complexes containing the Pd2(mu-CO)2 core.Design and Magnetic Properties of a Mononuclear Co(II) Single Molecule Magnet and Its Antiferromagnetically Coupled Binuclear Derivative.Structural Dependence of the Ising-type Magnetic Anisotropy and of the Relaxation Time in Mononuclear Trigonal Bipyramidal Co(II) Single Molecule Magnets.What Are the Physical Contents of Hubbard and Heisenberg Hamiltonian Interactions Extracted from Broken Symmetry DFT Calculations in Magnetic Compounds?Magnetic Anisotropy in Pentacoordinate NiII and CoII Complexes: Unraveling Electronic and Geometrical Contributions.Pentagonal Bipyramid FeII Complexes: Robust Ising-Spin Units towards Heteropolynuclear Nanomagnets.Tuning the Ising-type anisotropy in trigonal bipyramidal Co(II) complexes.Is it possible to determine rigorous magnetic Hamiltonians in spin s = 1 systems from density functional theory calculations?Theoretical Determination of the Zero-Field Splitting in Copper Acetate MonohydrateAb Initio Study of Intriguing Coordination Complexes: A Metal Field Theory Picture†Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexesTools for Predicting the Nature and Magnitude of Magnetic Anisotropy in Transition Metal Complexes: Application to Co(II) ComplexesApproaching periodic systems by a self-consistent embedding of a finite clusterStudy of infinite polyacetylene from a Heisenberg Hamiltonian: dimerization and lowest excitation energiesBond alternation of polyacetylene as a spin-Peierls distortionMagnetic anisotropy in binuclear complexes in the weak-exchange limit: From the multispin to the giant-spin HamiltonianMicroscopic origin of isotropic non-Heisenberg behavior inS=1magnetic systemsAb initiostudy of the Zener polaron spectrum of half-doped manganites: Comparison of several model HamiltoniansCompetition between double exchange and purely magnetic Heisenberg models in mixed valence systems: Application to half-doped manganitesBond electron pair: its relevance and analysis from the quantum chemistry point of viewA refined model of the double exchange phenomenon: test on the stretched N2+ moleculeA study of the correlation effects upon the modelization of the double exchange phenomenonDesigning magnetic organic lattices from high-spin polycyclic unitsPentanuclear cyanide-bridged complexes based on highly anisotropic Co(II) seven-coordinate building blocks: synthesis, structure, and magnetic behaviorIsotropic non-Heisenberg terms in the magnetic coupling of transition metal complexesLight-induced excited spin state trapping: ab initio study of the physics at the molecular levelCorrelated ab initio study of the excited state of the iron-coordinated-mode noninnocent glyoxalbis(mercaptoanil) ligand
P50
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P50
name
Nathalie Guihéry
@en
type
label
Nathalie Guihéry
@en
prefLabel
Nathalie Guihéry
@en