Nicolas Suaud - Dissemin

All papers authored by Nicolas Suaud

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2022 Grégoire David

, Nadia Ben Amor

, Tao Zeng

, Nicolas Suaud

, Georges Trinquier

, Jean-Paul Malrieu

Difficulty of the evaluation of the barrier height of an open-shell transition state between closed shell minima: The case of small C4n rings

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2021 Marcos Rubín-Osanz

, François Lambert, Feng Shao

, Eric Rivière

, Régis Guillot

, Nicolas Suaud

, Nathalie Guihéry, David Zueco

, Anne-Laure Barra, Talal Mallah

, Fernando Luis

Chemical tuning of spin clock transitions in molecular monomers based on nuclear spin-free Ni(ii)

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2017 Barthélémy Pradines, Lionel Lacombe, Nathalie Guihery, Nicolas Suaud

Study of the electronic Structure of NiGa2S4 and extraction of the spin Hamiltonian parameters from ab initio calculations

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2016 Vijay gopal Chilkuri, Nicolas Suaud

, Nathalie Guihéry

High-Spin Chains and Crowns from Double-Exchange Mechanism

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2015 Nicolas Suaud

, Xavier López, Nadia Ben Amor, Nadia Ben Amor, Nuno A. G. Bandeira

, Coen de Graaf, Josep Maria Poblet

Accuracy of Embedded Fragment Calculation for Evaluating Electron Interactions in Mixed Valence Magnetic Systems: Study of 2e-Reduced Lindqvist Polyoxometalates

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2014 Salvador Cardona-Serra, Juan M. Clemente-Juan, Eugenio Coronado, Alejandro Gaita-Ariño, Nicolas Suaud

, Ondrej Svoboda, Roland Bastardis, Nathalie Guihéry, Juan J. Palacios

Electrically Switchable Magnetic Molecules: Inducing a Magnetic Coupling by Means of an External Electric Field in a Mixed-Valence Polyoxovanadate Cluster

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Nicolas Suaud

, Renaud Ruamps, Jean-Paul Malrieu, Nathalie Guihéry

Singly Occupied MOs in Mono- and Diradical Conjugated Hydrocarbons: Comparison between Variational Single-Reference, π-Fully Correlated and Hückel Descriptions

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2013 Salvador Cardona-Serra, Juan M. Clemente-Juan, Alejandro Gaita-Ariño, Nicolas Suaud

, Ondrej Svoboda, Eugenio Coronado

Modelling electric field control of the spin state in the mixed-valence polyoxometalate [GeV14O40]8−

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2012 Tim Krah, Nicolas Suaud

, Alexandre Zanchet, Vincent Robert, Nadia Ben Amor

Vacancy-Induced Deformation in a CoFe Prussian Blue Analogue - A Theoretical Investigation

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Nicolas Suaud

, Renaud Ruamps, Nathalie Guihéry, Jean-Paul Malrieu

A Strategy to Determine Appropriate Active Orbitals and Accurate Magnetic Couplings in Organic Magnetic Systems

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Zahra Tabookht, Xavier López, Coen de Graaf, Nathalie Guihéry, Nicolas Suaud

, Nadia Ben Amor, Nadia Benamor

Rationalization of the behavior of M2(CH3CS2)4I (M = Ni, Pt) chains at room temperature from periodic density functional theory and ab initio cluster calculations

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Corentin Boilleau, Nicolas Suaud

, Nathalie Guihéry

Ab initio study of the influence of structural parameters on the potential energy surfaces of spin-crossover Fe(II) model compounds

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2011 Georges Trinquier, Nicolas Suaud

, Nathalie Guihéry, Jean-Paul Malrieu

Designing Magnetic Organic Lattices from High-Spin Polycyclic Units

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Thibaut Terencio, Roland Bastardis, Nicolas Suaud

, Daniel Maynau, J. Bonvoisin, Jean-Paul Malrieu, C. J. Calzado, Nathalie Guihéry

Physical analysis of the through-ligand long-distance magnetic coupling: spin-polarization versus Anderson mechanism

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2010 Georges Trinquier, Nicolas Suaud

, Jean-Paul Malrieu

Theoretical Design of High-Spin Polycyclic Hydrocarbons

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2009 N. Suaud

Origin of the Paramagnetic Properties of the Mixed-Valence Polyoxometalate [GeV14O40]8âReduced by Two Electrons: Wave Function Theory and Model Hamiltonian Calculations

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Corentin Boilleau, Nicolas Suaud

, Roland Bastardis, Nathalie Guihéry, Jean-Paul Malrieu

Possible use of DFT approaches for the determination of double exchange interactions

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Rémi Maurice, Coen de Graaf, Roland Bastardis, Cohen De Graaf, Nicolas Suaud

, Talal Mallah, Nathalie Guihéry

Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians

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Nicolas Suaud

, Marie-Laure Bonnet, Corentin Boilleau, Pierre Labèguerie, Nathalie Guihéry

Light-Induced Excited Spin State Trapping: Ab Initio Study of the Physics at the Molecular Level

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2008 Pierre Labèguerie, Corentin Boilleau, Roland Bastardis, Nicolas Suaud

, Nathalie Guihéry, Jean-Paul Malrieu

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

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All papers authored by Nicolas Suaud