Magnetic Anisotropy in a Cubane-like Ni-4 Complex: An Ab Initio Perspective von Maurice, Remi

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Pourbaix Diagram of Astatine Revisited: Experimental Investigations von Liu, Lu, Maurice, Rémi, Galland, Nicolas, Moisy, Philippe, Champion, Julie, Montavon, Gilles

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Antisymmetric Exchange in a Real Copper Triangular Complex von Bouammali, Mohammed-Amine, Suaud, Nicolas, Guihéry, Nathalie, Maurice, Rémi

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Electronic Structure and Magneto-Structural Correlations Study of Cu2UL Trinuclear Schiff Base Complexes: A 3d–5f–3d Case von Meskaldji, Samir, Belkhiri, Lotfi, Maurice, Rémi, Costuas, Karine, Le Guennic, Boris, Boucekkine, Abdou, Ephritikhine, Michel

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Stability of the Protactinium(V) Mono‐Oxo Cation Probed by First‐Principle Calculations von Shaaban, Tamara, Réal, Florent, Maurice, Rémi, Vallet, Valérie

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UV–Vis Absorption Spectroscopy of Polonium(IV) Chloride Complexes: An Electronic Structure Theory Study von Stoïanov, Ange, Champion, Julie, Maurice, Rémi

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Coordination and thermodynamic properties of aqueous protactinium() by first-principle calculations von Oher, Hanna, Delafoulhouze, Jérémy, Renault, Eric, Vallet, Valérie, Maurice, Rémi

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How to create giant Dzyaloshinskii–Moriya interactions? Analytical derivation and ab initio calculations on model dicopper(II) complexes von Bouammali, Mohammed-Amine, Suaud, Nicolas, Martins, Cyril, Maurice, Rémi, Guihéry, Nathalie

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Giant Ising-Type Magnetic Anisotropy in Trigonal Bipyramidal Ni(II) Complexes: Experiment and Theory von Ruamps, Renaud, Maurice, Rémi, Batchelor, Luke, Boggio-Pasqua, Martial, Guillot, Régis, Barra, Anne Laure, Liu, Junjie, Bendeif, El-Eulmi, Pillet, Sébastien, Hill, Stephen, Mallah, Talal, Guihéry, Nathalie

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Geometries, interaction energies and bonding in [Po(H 2 O) n ] 4+ and [PoCl n ] 4− n complexes von Zhutova, Nadiya, Réal, Florent, Vallet, Valérie, Maurice, Rémi

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The resolution of the weak-exchange limit made rigorous, simple and general in binuclear complexes von Sergentu, Dumitru-Claudiu, Le Guennic, Boris, Maurice, Rémi

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Identifying the Interactions That Allow Separation of O2 from N2 on the Open Iron Sites of Fe2(dobdc) von Verma, Pragya, Maurice, Rémi, Truhlar, Donald G

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Exchange Couplings and Magneto‐Structural Correlations of Trinuclear MII‐UIV‐MII (MII=Co, Ni, Cu) Complexes von Belkhiri, Lotfi, Maurice, Rémi, Le Guennic, Boris, Boucekkine, Abdou, Ephritikhine, Michel

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Adsorbate-Induced Changes in Magnetic Interactions in Fe2(dobdc) with Adsorbed Hydrocarbon Molecules von Verma, Pragya, Maurice, Rémi, Truhlar, Donald G

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Interplay between Local Anisotropies in Binuclear Complexes von Ruamps, Renaud, Maurice, Rémi, de Graaf, Coen, Guihéry, Nathalie

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Origin of the Magnetic Anisotropy in Heptacoordinate NiII and CoII Complexes von Ruamps, Renaud, Batchelor, Luke J., Maurice, Rémi, Gogoi, Nayanmoni, Jiménez-Lozano, Pablo, Guihéry, Nathalie, de Graaf, Coen, Barra, Anne-Laure, Sutter , Jean-Pascal, Mallah, Talal

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Heptavalent Neptunium in a Gas-Phase Complex: (NpVIIO3 +)(NO3 –)2 von Dau, Phuong D, Maurice, Rémi, Renault, Eric, Gibson, John K

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Extraction of giant Dzyaloshinskii–Moriya interaction from ab initio calculations: First-order spin–orbit coupling model and methodological study von Bouammali, Mohammed-Amine, Suaud, Nicolas, Maurice, Rémi, Guihéry, Nathalie

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Electronic structures and geometries of the XF3 (X = Cl, Br, I, At) fluorides von Sergentu, Dumitru-Claudiu, Amaouch, Mohamed, Pilmé, Julien, Galland, Nicolas, Maurice, Rémi

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Theoretical determination of spin Hamiltonians with isotropic and anisotropic magnetic interactions in transition metal and lanthanide complexes von Maurice, Rémi, Graaf, Coen de, Guihéry, Nathalie

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