Rémi Maurice
Rémi Maurice
Subatech - UMR CNRS 6457 - Laboratoire de physique subatomique et des technologies associées
Verified email at subatech.in2p3.fr
Title
Cited by
Cited by
Year
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
1932009
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
1102013
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
1102013
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
832014
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
822014
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
682011
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
652009
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
592011
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
572013
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
502013
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
502010
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
472014
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
452010
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
342014
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
342013
Magnetic Anisotropy in NiII–YIII Binuclear Complexes: On the Importance of Both the First Coordination Sphere of the NiII Ion and the YIII Ion Belonging to the Second …
R Maurice, L Vendier, JP Costes
Inorganic chemistry 50 (21), 11075-11081, 2011
332011
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
292018
Interplay between local anisotropies in binuclear complexes
R Ruamps, R Maurice, C De Graaf, N Guihéry
Inorganic chemistry 53 (9), 4508-4516, 2014
292014
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
292010
First-principles study of magnetic interactions in cupric oxide
AM Pradipto, R Maurice, N Guihéry, C de Graaf, R Broer
Physical Review B 85 (1), 014409, 2012
282012
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