Rémi Maurice
Rémi Maurice
Univ Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes) - UMR 6226, 35000 Rennes, France
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Universal theoretical approach to extract anisotropic spin Hamiltonians
R Maurice, R Bastardis, C Graaf, N Suaud, T Mallah, N Guihéry
Journal of Chemical Theory and Computation 5 (11), 2977-2984, 2009
Origin of the Magnetic Anisotropy in Heptacoordinate NiII and CoII Complexes
R Ruamps, LJ Batchelor, R Maurice, N Gogoi, P Jiménez‐Lozano, ...
Chemistry-A European Journal 19 (3), 950-956, 2013
Giant Ising-Type Magnetic Anisotropy in Trigonal Bipyramidal Ni (II) Complexes: Experiment and Theory
R Ruamps, R Maurice, L Batchelor, M Boggio-Pasqua, R Guillot, AL Barra, ...
Journal of the American Chemical Society 135 (8), 3017-3026, 2013
Unusual structure, bonding and properties in a californium borate
MJ Polinski, EB Garner III, R Maurice, N Planas, JT Stritzinger, TG Parker, ...
Nature chemistry 6 (5), 387-392, 2014
Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt
SJ Tereniak, RK Carlson, LJ Clouston, VG Young Jr, E Bill, R Maurice, ...
Journal of the American Chemical Society 136 (5), 1842-1855, 2014
Theoretical determination of the zero-field splitting in copper acetate monohydrate
R Maurice, K Sivalingam, D Ganyushin, N Guihéry, C de Graaf, F Neese
Inorganic Chemistry 50 (13), 6229-6236, 2011
Rigorous extraction of the anisotropic multispin Hamiltonian in bimetallic complexes from the exact electronic Hamiltonian
R Maurice, N Guihéry, R Bastardis, C Graaf
Journal of Chemical Theory and Computation 6 (1), 55-65, 2009
Magnetic State of Pyrochlore Cd 2 Os 2 O 7 Emerging from Strong Competition of Ligand Distortions and Longer-Range Crystalline Anisotropy
NA Bogdanov, R Maurice, I Rousochatzakis, J van den Brink, L Hozoi
Physical Review Letters 110 (12), 127206, 2013
Pentanuclear Cyanide-Bridged Complexes Based on Highly Anisotropic CoII Seven-Coordinate Building Blocks: Synthesis, Structure, and Magnetic Behavior
LJ Batchelor, M Sangalli, R Guillot, N Guihéry, R Maurice, F Tuna, ...
Inorganic Chemistry 50 (23), 12045-12052, 2011
Experimental and computational evidence of halogen bonds involving astatine
N Guo, R Maurice, D Teze, J Graton, J Champion, G Montavon, N Galland
Nature chemistry 10 (4), 428-434, 2018
Magnetostructural relations from a combined ab initio and ligand field analysis for the nonintuitive zero-field splitting in Mn (III) complexes
R Maurice, C de Graaf, N Guihéry
The Journal of chemical physics 133, 084307, 2010
Single-Ion Magnetic Anisotropy and Isotropic Magnetic Couplings in the Metal–Organic Framework Fe2 (dobdc)
R Maurice, P Verma, JM Zadrozny, S Luo, J Borycz, JR Long, DG Truhlar, ...
Inorganic chemistry 52 (16), 9379-9389, 2013
CO2 Adsorption in Fe2 (dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations
J Borycz, LC Lin, ED Bloch, J Kim, AL Dzubak, R Maurice, D Semrouni, ...
The Journal of Physical Chemistry C 118 (23), 12230-12240, 2014
Antisymmetric magnetic interactions in oxo-bridged copper (II) bimetallic systems
R Maurice, AM Pradipto, N Guihéry, R Broer, C de Graaf
Journal of Chemical Theory and Computation 6 (10), 3092-3101, 2010
Computational determination of the dominant triplet population mechanism in photoexcited benzophenone
DC Sergentu, R Maurice, RWA Havenith, R Broer, D Roca-Sanjuán
Physical Chemistry Chemical Physics 16 (46), 25393-25403, 2014
Theoretical determination of spin Hamiltonians with isotropic and anisotropic magnetic interactions in transition metal and lanthanide complexes
R Maurice, C de Graaf, N Guihéry
Physical Chemistry Chemical Physics 15 (43), 18784-18804, 2013
Targeted radionuclide therapy with astatine-211: Oxidative dehalogenation of astatobenzoate conjugates
D Teze, DC Sergentu, V Kalichuk, J Barbet, D Deniaud, N Galland, ...
Scientific Reports 7 (1), 2579, 2017
Interplay between local anisotropies in binuclear complexes
R Ruamps, R Maurice, C De Graaf, N Guihéry
Inorganic chemistry 53 (9), 4508-4516, 2014
Magnetic anisotropy in binuclear complexes in the weak-exchange limit: From the multispin to the giant-spin Hamiltonian
R Maurice, C de Graaf, N Guihéry
Physical Review B 81 (21), 214427, 2010
Advances on the Determination of the Astatine Pourbaix Diagram: Predomination of AtO(OH)2 over At in Basic Conditions
DC Sergentu, D Teze, A Sabatié‐Gogova, C Alliot, N Guo, F Bassal, ...
Chemistry–A European Journal 22 (9), 2964-2971, 2016
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