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, 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.
, 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.
, 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.
, Ferrotoroidic ground state in a heterometallic CrIIIDyIII6 complex displaying slow magnetic relaxation, Nature Communications, vol. 8, p. 1023, 2017.
, Configuration-averaged 4f orbitals in ab initio calculations of low-lying crystal field levels in lanthanide (III) complexes, Physical Chemistry Chemical Physics, 2016.
, Dysprosium-based experimental representatives of an Ising-Heisenberg chain and a decorated Ising ring, Physical Review B, vol. 82, p. 174436, 2010.
, 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.
, Dirac cones in the spectrum of bond-decorated graphenes, The Journal of chemical physics, vol. 140, p. 234114, 2014.
, Ultralow blocking temperature and breakdown of the giant spin model in Er 3+-doped nanoparticles, Physical Review B, vol. 82, p. 094421, 2010.
, NMR chemical shift as analytical derivative of the Helmholtz free energy, The Journal of chemical physics, vol. 138, p. 054113, 2013.
, 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.
, NMR chemical shift in an electronic state with arbitrary degeneracy, Physical review letters, vol. 109, no. 7, p. 073001, 2012.
, A CASPT2 study of the electronic spectrum of hexacyanoosmate (III), Inorganic chemistry, vol. 46, pp. 8032–8037, 2007.