Ab initio investigation of the non-collinear magnetic structure and the lowest magnetic excitations in dysprosium triangles L Ungur, W Van den Heuvel, LF Chibotaru
New Journal of Chemistry 33 (6), 1224-1230, 2009
360 2009 An Octanuclear [CrIII4DyIII4] 3d–4f Single‐Molecule Magnet J Rinck, G Novitchi, W Van den Heuvel, L Ungur, Y Lan, W Wernsdorfer, ...
Angewandte Chemie International Edition 49 (41), 7583-7587, 2010
272 * 2010 First heterotrimetallic {3d-4d-4f} single chain magnet, constructed from anisotropic high-spin heterometallic nodes and paramagnetic spacers D Visinescu, AM Madalan, M Andruh, C Duhayon, JP Sutter, L Ungur, ...
Chem.-Eur. J 15 (44), 11808-11814, 2009
219 2009 NMR chemical shift as analytical derivative of the Helmholtz free energy W Van den Heuvel, A Soncini
The Journal of Chemical Physics 138, 054113, 2013
97 2013 NMR chemical shift in an electronic state with arbitrary degeneracy W Van den Heuvel, A Soncini
Physical review letters 109 (7), 073001, 2012
91 2012 Communication: Paramagnetic NMR chemical shift in a spin state subject to zero-field splitting A Soncini, W Van den Heuvel
The Journal of Chemical Physics 138 (2), 021103, 2013
73 2013 Magnetic excitations in polyoxotungstate-supported lanthanoid single-molecule magnets: an inelastic neutron scattering and ab initio study M Vonci, MJ Giansiracusa, W Van den Heuvel, RW Gable, B Moubaraki, ...
Inorganic Chemistry 56 (1), 378-394, 2017
67 2017 Dysprosium-based experimental representatives of an Ising-Heisenberg chain and a decorated Ising ring W Van den Heuvel, LF Chibotaru
Physical Review B 82 (17), 174436, 2010
59 2010 Carbonate-bridged lanthanoid triangles: single-molecule magnet behavior, inelastic neutron scattering, and Ab initio studies MJ Giansiracusa, M Vonci, W Van den Heuvel, RW Gable, B Moubaraki, ...
Inorganic Chemistry 55 (11), 5201-5214, 2016
43 2016 Relay-Like Exchange Mechanism through a Spin Radical between TbPc2 Molecules and Graphene/Ni(111) Substrates S Marocchi, A Candini, D Klar, W Van den Heuvel, H Huang, F Troiani, ...
ACS nano 10 (10), 9353-9360, 2016
36 2016 Ab initio calculations as a quantitative tool in the inelastic neutron scattering study of a single-molecule magnet analogue M Vonci, MJ Giansiracusa, RW Gable, W Van den Heuvel, K Latham, ...
Chemical communications 52 (10), 2091-2094, 2016
35 2016 Configuration-averaged 4f orbitals in ab initio calculations of low-lying crystal field levels in lanthanide (iii) complexes W Van den Heuvel, S Calvello, A Soncini
Physical Chemistry Chemical Physics 18 (23), 15807-15814, 2016
23 2016 Ultralow blocking temperature and breakdown of the giant spin model in Er 3+-doped nanoparticles W Van den Heuvel, VK Tikhomirov, D Kirilenko, N Schildermans, ...
Physical Review B 82 (9), 094421, 2010
17 2010 Titanium (III) Member of the Family of Trigonal Building Blocks with Scorpionate and Cyanide Ligands A Brown, M Saber, W Van den Heuvel, K Schulte, A Soncini, KR Dunbar
Inorganic Chemistry 56 (3), 1031-1035, 2017
16 2017 Basic exchange model: Comparison of Anderson and valence bond configuration interaction approaches and an alternative exchange expression W Van den Heuvel, LF Chibotaru
Physical Review B 76 (10), 104424, 2007
13 2007 A CASPT2 study of the electronic spectrum of hexacyanoosmate (III) W Van den Heuvel, MFA Hendrickx, A Ceulemans
Inorganic chemistry 46 (19), 8032-8037, 2007
13 2007 Elucidation of the Magnetism of [Co2 PdCl2 (dpa)4 ]: Origin of a Large Temperature Domain of TIP Behavior W Van den Heuvel, LF Chibotaru
Inorganic chemistry 48 (16), 7557-7563, 2009
12 2009 Lanthanide-radical magnetic coupling in [LnPc ] : Competing exchange mechanisms captured via ab initio multi-reference calculations H Huang, WV Heuvel, A Soncini
arXiv preprint arXiv:2001.09420, 2020
9 2020 Ferromagnetic coupling induced by spin-orbit coupling in dipyridylamide linear trinuclear Cu-Pd-Cu and Cu-Pt-Cu complexes D Maynau, H Bolvin, W Van den Heuvel, M Bénard, MM Rohmer, ...
Comptes Rendus. Chimie 15 (2-3), 170-175, 2012
4 2012 Embedding Beyond Electrostatics: The Extended Polarizable Density Embedding Model W Van den Heuvel, P Reinholdt, J Kongsted
The Journal of Physical Chemistry B 127 (14), 3248-3256, 2023
3 2023