List of works - Nathalie Guihéry

A refined model of the double exchange phenomenon: test on the stretched N2+ molecule

scientific article published on 01 October 2004

A study of the correlation effects upon the modelization of the double exchange phenomenon

scientific article published on 01 November 2004

Ab Initio Study of Intriguing Coordination Complexes: A Metal Field Theory Picture†

article

Ab initiostudy of the Zener polaron spectrum of half-doped manganites: Comparison of several model Hamiltonians

scholarly article in Physical Review B, vol. 74 no. 1, July 2006

Additive Decomposition of the Physical Components of the Magnetic Coupling from Broken Symmetry Density Functional Theory Calculations

scientific article published on July 2013

Approaching periodic systems by a self-consistent embedding of a finite cluster

Bond alternation of polyacetylene as a spin-Peierls distortion

Bond electron pair: its relevance and analysis from the quantum chemistry point of view

scientific article published on 01 January 2007

Competition between double exchange and purely magnetic Heisenberg models in mixed valence systems: Application to half-doped manganites

article

Correlated ab initio study of the excited state of the iron-coordinated-mode noninnocent glyoxalbis(mercaptoanil) ligand

scientific article published on 01 April 2006

Design and Magnetic Properties of a Mononuclear Co(II) Single Molecule Magnet and Its Antiferromagnetically Coupled Binuclear Derivative

scientific article published on 4 April 2017

Design of a Binuclear Ni(II) Complex with Large Ising-type Anisotropy and Weak Anti-Ferromagnetic Coupling

scientific article

Designing magnetic organic lattices from high-spin polycyclic units

scientific article published on 21 October 2011

Engineering the magnetic coupling and anisotropy at the molecule-magnetic surface interface in molecular spintronic devices

scientific article

In Search of Organic Compounds Presenting a Double Exchange Phenomenon

scientific article published on 16 October 2013

Is it possible to determine rigorous magnetic Hamiltonians in spin s = 1 systems from density functional theory calculations?

scientific article published in October 2008

Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes

Isotropic non-Heisenberg terms in the magnetic coupling of transition metal complexes

scientific article published on 01 September 2008

Light-induced excited spin state trapping: ab initio study of the physics at the molecular level

scientific article published on 01 January 2009

Magnetic Anisotropy in Pentacoordinate NiII and CoII Complexes: Unraveling Electronic and Geometrical Contributions

scientific article

Magnetic anisotropy in binuclear complexes in the weak-exchange limit: From the multispin to the giant-spin Hamiltonian

scholarly article in Physical Review B, vol. 81 no. 21, June 2010

Magnetic interactions in molecules and highly correlated materials: physical content, analytical derivation, and rigorous extraction of magnetic Hamiltonians

scientific article

Microscopic origin of isotropic non-Heisenberg behavior inS=1magnetic systems

scholarly article in Physical Review B, vol. 76 no. 13, October 2007

Origin of the magnetic anisotropy in heptacoordinate Ni(II) and Co(II) complexes

scientific article published on 23 November 2012

Pentagonal Bipyramid FeII Complexes: Robust Ising-Spin Units towards Heteropolynuclear Nanomagnets

scientific article published on 24 January 2017

Pentanuclear cyanide-bridged complexes based on highly anisotropic Co(II) seven-coordinate building blocks: synthesis, structure, and magnetic behavior

scientific article published on 03 November 2011

Structural Dependence of the Ising-type Magnetic Anisotropy and of the Relaxation Time in Mononuclear Trigonal Bipyramidal Co(II) Single Molecule Magnets

scientific article published on 12 January 2017

Study of infinite polyacetylene from a Heisenberg Hamiltonian: dimerization and lowest excitation energies

Synthesis and theoretical study of a series of dipalladium(I) complexes containing the Pd2(mu-CO)2 core

scientific article published in March 2006

Theoretical Determination of the Zero-Field Splitting in Copper Acetate Monohydrate

Theoretical determination of spin Hamiltonians with isotropic and anisotropic magnetic interactions in transition metal and lanthanide complexes

scientific article

Tools for Predicting the Nature and Magnitude of Magnetic Anisotropy in Transition Metal Complexes: Application to Co(II) Complexes

Tuning the Ising-type anisotropy in trigonal bipyramidal Co(II) complexes

scientific article published on 6 October 2015

Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians

scientific article published on 2 October 2009

Unraveling σ and π Effects on Magnetic Anisotropy in cis-NiA4 B2 Complexes: Magnetization, HF-HFEPR Studies, First-Principles Calculations, and Orbital Modeling

scientific article

What Are the Physical Contents of Hubbard and Heisenberg Hamiltonian Interactions Extracted from Broken Symmetry DFT Calculations in Magnetic Compounds?

scientific article published on 17 October 2017

List of works by Nathalie Guihéry

A refined model of the double exchange phenomenon: test on the stretched N2+ molecule

A study of the correlation effects upon the modelization of the double exchange phenomenon

Ab Initio Study of Intriguing Coordination Complexes: A Metal Field Theory Picture†

Ab initiostudy of the Zener polaron spectrum of half-doped manganites: Comparison of several model Hamiltonians

Additive Decomposition of the Physical Components of the Magnetic Coupling from Broken Symmetry Density Functional Theory Calculations

Approaching periodic systems by a self-consistent embedding of a finite cluster

Bond alternation of polyacetylene as a spin-Peierls distortion

Bond electron pair: its relevance and analysis from the quantum chemistry point of view

Competition between double exchange and purely magnetic Heisenberg models in mixed valence systems: Application to half-doped manganites

Correlated ab initio study of the excited state of the iron-coordinated-mode noninnocent glyoxalbis(mercaptoanil) ligand

Design and Magnetic Properties of a Mononuclear Co(II) Single Molecule Magnet and Its Antiferromagnetically Coupled Binuclear Derivative

Design of a Binuclear Ni(II) Complex with Large Ising-type Anisotropy and Weak Anti-Ferromagnetic Coupling

Designing magnetic organic lattices from high-spin polycyclic units

Engineering the magnetic coupling and anisotropy at the molecule-magnetic surface interface in molecular spintronic devices

In Search of Organic Compounds Presenting a Double Exchange Phenomenon

Is it possible to determine rigorous magnetic Hamiltonians in spin s = 1 systems from density functional theory calculations?

Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes

Isotropic non-Heisenberg terms in the magnetic coupling of transition metal complexes

Light-induced excited spin state trapping: ab initio study of the physics at the molecular level

Magnetic Anisotropy in Pentacoordinate NiII and CoII Complexes: Unraveling Electronic and Geometrical Contributions

Magnetic anisotropy in binuclear complexes in the weak-exchange limit: From the multispin to the giant-spin Hamiltonian

Magnetic interactions in molecules and highly correlated materials: physical content, analytical derivation, and rigorous extraction of magnetic Hamiltonians

Microscopic origin of isotropic non-Heisenberg behavior inS=1magnetic systems

Origin of the magnetic anisotropy in heptacoordinate Ni(II) and Co(II) complexes

Pentagonal Bipyramid FeII Complexes: Robust Ising-Spin Units towards Heteropolynuclear Nanomagnets

Pentanuclear cyanide-bridged complexes based on highly anisotropic Co(II) seven-coordinate building blocks: synthesis, structure, and magnetic behavior

Structural Dependence of the Ising-type Magnetic Anisotropy and of the Relaxation Time in Mononuclear Trigonal Bipyramidal Co(II) Single Molecule Magnets

Study of infinite polyacetylene from a Heisenberg Hamiltonian: dimerization and lowest excitation energies

Synthesis and theoretical study of a series of dipalladium(I) complexes containing the Pd2(mu-CO)2 core

Theoretical Determination of the Zero-Field Splitting in Copper Acetate Monohydrate

Theoretical determination of spin Hamiltonians with isotropic and anisotropic magnetic interactions in transition metal and lanthanide complexes

Tools for Predicting the Nature and Magnitude of Magnetic Anisotropy in Transition Metal Complexes: Application to Co(II) Complexes

Tuning the Ising-type anisotropy in trigonal bipyramidal Co(II) complexes

Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians

Unraveling σ and π Effects on Magnetic Anisotropy in cis-NiA4 B2 Complexes: Magnetization, HF-HFEPR Studies, First-Principles Calculations, and Orbital Modeling

What Are the Physical Contents of Hubbard and Heisenberg Hamiltonian Interactions Extracted from Broken Symmetry DFT Calculations in Magnetic Compounds?