Cyano-Bridged Fe(II)–Cr(III) Single-Chain Magnet Based on Pentagonal Bipyramid Units: On the Added Value of Aligned Axial Anisotropy
Pichon, Céline, Suaud, Nicolas, Duhayon, Carine, Guihéry, Nathalie, Sutter, Jean-Pascal
Published in Journal of the American Chemical Society (20.06.2018)
Published in Journal of the American Chemical Society (20.06.2018)
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Journal Article
Physical origin of the anisotropic exchange tensor close to the first-order spin-orbit coupling regime and impact of the electric field on its magnitude
Heully-Alary, Flaurent, Pradines, Barthélémy, Suaud, Nicolas, Guihéry, Nathalie
Published in The Journal of chemical physics (07.08.2024)
Published in The Journal of chemical physics (07.08.2024)
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Journal Article
How to create giant Dzyaloshinskii-Moriya interactions? Analytical derivation and ab initio calculations on model dicopper(II) complexes
Bouammali, Mohammed-Amine, Suaud, Nicolas, Martins, Cyril, Maurice, Rémi, Guihéry, Nathalie
Published in The Journal of chemical physics (07.04.2021)
Published in The Journal of chemical physics (07.04.2021)
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Journal Article
Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians
Maurice, Rémi, Bastardis, Roland, Graaf, Coen de, Suaud, Nicolas, Mallah, Talal, Guihéry, Nathalie
Published in Journal of chemical theory and computation (10.11.2009)
Published in Journal of chemical theory and computation (10.11.2009)
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Journal Article
Understanding the impact of correlation on bond length alternation in polyenes
Suaud, Nicolas, Ben Amor, Nadia, Guihéry, Nathalie, Malrieu, Jean-Paul
Published in Theoretical chemistry accounts (01.08.2021)
Published in Theoretical chemistry accounts (01.08.2021)
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Journal Article
From Positive to Negative Zero-Field Splitting in a Series of Strongly Magnetically Anisotropic Mononuclear Metal Complexes
Novitchi, Ghénadie, Jiang, Shangda, Shova, Sergiu, Rida, Fatima, Hlavička, Ivo, Orlita, Milan, Wernsdorfer, Wolfgang, Hamze, Rana, Martins, Cyril, Suaud, Nicolas, Guihéry, Nathalie, Barra, Anne-Laure, Train, Cyrille
Published in Inorganic chemistry (18.12.2017)
Published in Inorganic chemistry (18.12.2017)
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Journal Article
Engineering the magnetic coupling and anisotropy at the molecule–magnetic surface interface in molecular spintronic devices
Campbell, Victoria E., Tonelli, Monica, Cimatti, Irene, Moussy, Jean-Baptiste, Tortech, Ludovic, Dappe, Yannick J., Rivière, Eric, Guillot, Régis, Delprat, Sophie, Mattana, Richard, Seneor, Pierre, Ohresser, Philippe, Choueikani, Fadi, Otero, Edwige, Koprowiak, Florian, Chilkuri, Vijay Gopal, Suaud, Nicolas, Guihéry, Nathalie, Galtayries, Anouk, Miserque, Frederic, Arrio, Marie-Anne, Sainctavit, Philippe, Mallah, Talal
Published in Nature communications (08.12.2016)
Published in Nature communications (08.12.2016)
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Journal Article
Electrically Switchable Magnetic Molecules: Inducing a Magnetic Coupling by Means of an External Electric Field in a Mixed-Valence Polyoxovanadate Cluster
Cardona-Serra, Salvador, Clemente-Juan, Juan M., Coronado, Eugenio, Gaita-Ariño, Alejandro, Suaud, Nicolas, Svoboda, Ondrej, Bastardis, Roland, Guihéry, Nathalie, Palacios, Juan J.
Published in Chemistry : a European journal (07.01.2015)
Published in Chemistry : a European journal (07.01.2015)
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Journal Article
Theoretical Design of High-Spin Polycyclic Hydrocarbons
Trinquier, Georges, Suaud, Nicolas, Malrieu, Jean-Paul
Published in Chemistry : a European journal (02.08.2010)
Published in Chemistry : a European journal (02.08.2010)
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Journal Article
A Wigner molecule at extremely low densities: a numerically exact study
Escobar Azor, Miguel, Brooke, Léa, Evangelisti, Stefano, Leininger, Thierry, Loos, Pierre-François, Suaud, Nicolas, Berger, Arjan
Published in SciPost physics core (01.11.2019)
Published in SciPost physics core (01.11.2019)
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Journal Article
Pentagonal Bipyramid FeII Complexes: Robust Ising‐Spin Units towards Heteropolynuclear Nanomagnets
Bar, Arun Kumar, Gogoi, Nayanmoni, Pichon, Céline, Goli, V. M. L. Durga Prasad, Thlijeni, Mehrez, Duhayon, Carine, Suaud, Nicolas, Guihéry, Nathalie, Barra, Anne‐Laure, Ramasesha, S., Sutter, Jean‐Pascal
Published in Chemistry : a European journal (28.03.2017)
Published in Chemistry : a European journal (28.03.2017)
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Journal Article
Designing Magnetic Organic Lattices from High-Spin Polycyclic Units
Trinquier, Georges, Suaud, Nicolas, Guihéry, Nathalie, Malrieu, Jean-Paul
Published in Chemphyschem (18.11.2011)
Published in Chemphyschem (18.11.2011)
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Journal Article
Electron Delocalization in Mixed-Valence Keggin Polyoxometalates. Ab Initio Calculation of the Local Effective Transfer Integrals and Its Consequences on the Spin Coupling
Suaud, Nicolas, Gaita-Ariño, Alejandro, Clemente-Juan, Juan Modesto, Sánchez-Marín, José, Coronado, Eugenio
Published in Journal of the American Chemical Society (18.12.2002)
Published in Journal of the American Chemical Society (18.12.2002)
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Journal Article
Electron Delocalization and Electrostatic Repulsion at the Origin of the Strong Spin Coupling in Mixed-Valence Keggin Polyoxometalates: Ab Initio Calculations of the One- and Two-Electron Processes
Suaud, Nicolas, Gaita-Ariño, Alejandro, Clemente-Juan, Juan Modesto, Coronado, Eugenio
Published in Chemistry : a European journal (20.08.2004)
Published in Chemistry : a European journal (20.08.2004)
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Journal Article
Antisymmetric Exchange in a Real Copper Triangular Complex
Bouammali, Mohammed-Amine, Suaud, Nicolas, Guihéry, Nathalie, Maurice, Rémi
Published in Inorganic chemistry (08.08.2022)
Published in Inorganic chemistry (08.08.2022)
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Journal Article
Difficulty of the evaluation of the barrier height of an open-shell transition state between closed shell minima: The case of small C 4n rings
David, Grégoire, Ben Amor, Nadia, Zeng, Tao, Suaud, Nicolas, Trinquier, Georges, Malrieu, Jean-Paul
Published in The Journal of chemical physics (14.06.2022)
Published in The Journal of chemical physics (14.06.2022)
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Journal Article
Understanding the Electronic Structure of Magnetic Trinuclear Complexes Based on the Tris‐Dioxolene Triphenylene Non‐Innocent Bridging Ligand, a Theoretical Study
Suaud, Nicolas, Colin, Aristide, Bouammali, Mohammed, Mallah, Talal, Guihéry, Nathalie
Published in Chemistry : a European journal (26.01.2024)
Published in Chemistry : a European journal (26.01.2024)
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Journal Article
An extended DFTB-CI model for charge-transfer excited states in cationic molecular clusters: model studies versus ab initio calculations in small PAH clusters
Dontot, Léo, Suaud, Nicolas, Rapacioli, Mathias, Spiegelman, Fernand
Published in Physical chemistry chemical physics : PCCP (2016)
Published in Physical chemistry chemical physics : PCCP (2016)
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Journal Article