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M. Vonci, Giansiracusa, M. J., Gable, R. W., Van den Heuvel, W., Latham, K., Moubaraki, B., Murray, K. S., Yu, D., Mole, R. A., Soncini, A., and Boskovic, C., Ab initio calculations as a quantitative tool in the inelastic neutron scattering study of a single-molecule magnet analogue, Chemical Communications, vol. 52, no. 10, pp. 2091-2094, 2016.
M. Vonci, Giansiracusa, M. J., Van den Heuvel, W., Gable, R. W., Moubaraki, B., Murray, K. S., Yu, D., Mole, R. A., Soncini, A., and Boskovic, C., Magnetic Excitations in Polyoxotungstate-Supported Lanthanoid Single-Molecule Magnets: An Inelastic Neutron Scattering and ab Initio Study, Inorganic Chemistry, vol. 56, pp. 378-394, 2017.
D. Visinescu, Madalan, A. M., Andruh, M., Duhayon, C., Sutter, J. - P., Ungur, L., Van den Heuvel, W., and Chibotaru, L. F., First Heterotrimetallic $\{$3 d-4 d-4 f$\}$ Single Chain Magnet, Constructed from Anisotropic High-Spin Heterometallic Nodes and Paramagnetic Spacers, Chemistry–A European Journal, vol. 15, pp. 11808–11814, 2009.
K. R. Vignesh, Soncini, A., Langley, S. K., Wernsdorfer, W., Murray, K. S., and Rajaraman, G., Ferrotoroidic ground state in a heterometallic CrIIIDyIII6 complex displaying slow magnetic relaxation, Nature Communications, vol. 8, p. 1023, 2017.
W. Van den Heuvel and Soncini, A., NMR chemical shift in an electronic state with arbitrary degeneracy, Physical review letters, vol. 109, no. 7, p. 073001, 2012.
W. Van den Heuvel, Hendrickx, M. F. A., and Ceulemans, A., A CASPT2 study of the electronic spectrum of hexacyanoosmate (III), Inorganic chemistry, vol. 46, pp. 8032–8037, 2007.
W. Van den Heuvel, Calvello, S., and Soncini, A., Configuration-averaged 4f orbitals in ab initio calculations of low-lying crystal field levels in lanthanide (III) complexes, Physical Chemistry Chemical Physics, 2016.
W. Van den Heuvel and Chibotaru, L. F., Dysprosium-based experimental representatives of an Ising-Heisenberg chain and a decorated Ising ring, Physical Review B, vol. 82, p. 174436, 2010.
W. Van den Heuvel and Chibotaru, L. F., Elucidation of the Magnetism of [Co2PdCl2 (dpa) 4]: Origin of a Large Temperature Domain of TIP Behavior, Inorganic chemistry, vol. 48, pp. 7557–7563, 2009.
W. Van den Heuvel and Soncini, A., Dirac cones in the spectrum of bond-decorated graphenes, The Journal of chemical physics, vol. 140, p. 234114, 2014.
W. Van den Heuvel, Tikhomirov, V. K., Kirilenko, D., Schildermans, N., Chibotaru, L. F., Vanacken, J., Gredin, P., Mortier, M., Van Tendeloo, G., and Moshchalkov, V. V., Ultralow blocking temperature and breakdown of the giant spin model in Er 3+-doped nanoparticles, Physical Review B, vol. 82, p. 094421, 2010.
W. Van den Heuvel and Soncini, A., NMR chemical shift as analytical derivative of the Helmholtz free energy, The Journal of chemical physics, vol. 138, p. 054113, 2013.
W. Van den Heuvel and Chibotaru, L. F., Basic exchange model: Comparison of Anderson and valence bond configuration interaction approaches and an alternative exchange expression, Physical Review B, vol. 76, p. 104424, 2007.