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The Journal of Chemical Physics|October 12, 2004
A refined model of the double exchange phenomenon: test on the stretched N2+ moleculeDavid Taratiel, Nathalie GuihéryThe Journal of Chemical Physics|December 20, 2012
Ab initio study of the influence of structural parameters on the potential energy surfaces of spin-crossover Fe(II) model compoundsCorentin Boilleau, Nicolas Suaud, Nathalie GuihéryThe Journal of Physical Chemistry. A|September 25, 2008
Ab initio study of intriguing coordination complexes: a metal field theory pictureNathalie Guihéry, Vincent Robert, Frank NeeseJournal of Chemical Theory and Computation|October 18, 2017
What Are the Physical Contents of Hubbard and Heisenberg Hamiltonian Interactions Extracted from Broken Symmetry DFT Calculations in Magnetic Compounds?Grégoire David, Nathalie Guihéry, Nicolas FerréThe Journal of Chemical Physics|December 3, 2008
Isotropic non-Heisenberg terms in the magnetic coupling of transition metal complexesRoland Bastardis, Nathalie Guihéry, Coen de GraafPhysical Chemistry Chemical Physics : PCCP|February 19, 2015
Spin decontamination of broken-symmetry density functional theory calculations: deeper insight and new formulationsNicolas Ferré, Nathalie Guihéry, Jean-Paul MalrieuThe Journal of Chemical Physics|September 7, 2010
Magnetostructural relations from a combined ab initio and ligand field analysis for the nonintuitive zero-field splitting in Mn(III) complexesRémi Maurice, Coen de Graaf, Nathalie GuihéryThe Journal of Chemical Physics|December 1, 2022
Impact of the electric field on isotropic and anisotropic spin Hamiltonian parametersBarthélémy Pradines, Benjamin Cahier, Nicolas Suaud, et al.Physical Chemistry Chemical Physics : PCCP|October 10, 2013
Theoretical determination of spin Hamiltonians with isotropic and anisotropic magnetic interactions in transition metal and lanthanide complexesRémi Maurice, Coen de Graaf, Nathalie GuihéryInorganic Chemistry|July 27, 2022
Antisymmetric Exchange in a Real Copper Triangular ComplexMohammed-Amine Bouammali, Nicolas Suaud, Nathalie Guihéry, et al.Pageof 6