| Universal theoretical approach to extract anisotropic spin hamiltonians R Maurice, R Bastardis, C Graaf, N Suaud, T Mallah, N Guihery Journal of Chemical Theory and Computation 5 (11), 2977-2984, 2009 | 297 | 2009 |
| Determining key local vibrations in the relaxation of molecular spin qubits and single-molecule magnets L Escalera-Moreno, N Suaud, A Gaita-Arino, E Coronado The journal of physical chemistry letters 8 (7), 1695-1700, 2017 | 163 | 2017 |
| Light-induced excited spin state trapping: Ab initio study of the physics at the molecular level N Suaud, ML Bonnet, C Boilleau, P Labeguerie, N Guihéry Journal of the American Chemical Society 131 (2), 715-722, 2009 | 96 | 2009 |
| Electron delocalization in mixed-valence Keggin polyoxometalates. Ab initio calculation of the local effective transfer integrals and its consequences on the spin coupling N Suaud, A Gaita-Arino, JM Clemente-Juan, J Sánchez-Marín, ... Journal of the American Chemical Society 124 (50), 15134-15140, 2002 | 86 | 2002 |
| Role of the electron transfer and magnetic exchange interactions in the magnetic properties of mixed-valence polyoxovanadate complexes CJ Calzado, JM Clemente-Juan, E Coronado, A Gaita-Arino, N Suaud Inorganic chemistry 47 (13), 5889-5901, 2008 | 74 | 2008 |
| Ab initio evaluation of local effective interactions in N Suaud, MB Lepetit Physical Review B 62 (1), 402, 2000 | 74 | 2000 |
| Cyano-bridged Fe (II)–Cr (III) single-chain magnet based on pentagonal bipyramid units: On the added value of aligned axial anisotropy C Pichon, N Suaud, C Duhayon, N Guihéry, JP Sutter Journal of the American Chemical Society 140 (24), 7698-7704, 2018 | 73 | 2018 |
| Pentagonal Bipyramid FeII Complexes: Robust Ising‐Spin Units towards Heteropolynuclear Nanomagnets AK Bar, N Gogoi, C Pichon, VMLDP Goli, M Thlijeni, C Duhayon, N Suaud, ... Chemistry–A European Journal 23 (18), 4380-4396, 2017 | 72 | 2017 |
| Derivation of spin Hamiltonians from the exact Hamiltonian: Application to systems with two unpaired electrons per magnetic site I de PR Moreira, N Suaud, N Guihéry, JP Malrieu, R Caballol, JM Bofill, ... Physical Review B 66 (13), 134430, 2002 | 70 | 2002 |
| Engineering the magnetic coupling and anisotropy at the molecule–magnetic surface interface in molecular spintronic devices VE Campbell, M Tonelli, I Cimatti, JB Moussy, L Tortech, YJ Dappe, ... Nature Communications 7 (1), 13646, 2016 | 68 | 2016 |
| Ab Initio Evaluation of the Charge Ordering in N Suaud, MB Lepetit Physical review letters 88 (5), 056405, 2002 | 64 | 2002 |
| Theoretical Design of High‐Spin Polycyclic Hydrocarbons G Trinquier, N Suaud, JP Malrieu Chemistry–A European Journal 16 (29), 8762-8772, 2010 | 55 | 2010 |
| 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 … N Suaud, A Gaita‐Ariño, JM Clemente‐Juan, E Coronado Chemistry–A European Journal 10 (16), 4041-4053, 2004 | 54 | 2004 |
| A strategy to determine appropriate active orbitals and accurate magnetic couplings in organic magnetic systems N Suaud, R Ruamps, N Guihéry, JP Malrieu Journal of Chemical Theory and Computation 8 (11), 4127-4137, 2012 | 46 | 2012 |
| Electrically Switchable Magnetic Molecules: Inducing a Magnetic Coupling by Means of an External Electric Field in a Mixed‐Valence Polyoxovanadate Cluster S Cardona‐Serra, JM Clemente‐Juan, E Coronado, A Gaita‐Ariño, ... Chemistry–A European Journal 21 (2), 763-769, 2015 | 43 | 2015 |
| From positive to negative zero-field splitting in a series of strongly magnetically anisotropic mononuclear metal complexes G Novitchi, S Jiang, S Shova, F Rida, I Hlavička, M Orlita, W Wernsdorfer, ... Inorganic Chemistry 56 (24), 14809-14822, 2017 | 42 | 2017 |
| Environment effects on effective magnetic exchange integrals and local spectroscopy of extended strongly correlated systems MB Lepetit, N Suaud, A Gelle, V Robert The Journal of chemical physics 118 (9), 3966-3973, 2003 | 31 | 2003 |
| An extended DFTB-CI model for charge-transfer excited states in cationic molecular clusters: model studies versus ab initio calculations in small PAH clusters L Dontot, N Suaud, M Rapacioli, F Spiegelman Physical Chemistry Chemical Physics 18 (5), 3545-3557, 2016 | 28 | 2016 |
| Modelling electric field control of the spin state in the mixed-valence polyoxometalate [GeV 14 O 40] 8− S Cardona-Serra, JM Clemente-Juan, A Gaita-Ariño, N Suaud, ... Chemical communications 49 (83), 9621-9623, 2013 | 26 | 2013 |
| Is it possible to determine rigorous magnetic Hamiltonians in spin s= 1 systems from density functional theory calculations? P Labèguerie, C Boilleau, R Bastardis, N Suaud, N Guihéry, JP Malrieu The Journal of chemical physics 129 (15), 2008 | 26 | 2008 |
