List of Publications
“Tuning the Ferrotoroidic Coupling and Magnetic Hysteresis in Double-Triangle Complexes {(Dy3MDy3)-Dy-III} via the M-III-linker”, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, vol. 2021, pp. 435-444, 2021.
, “Lanthanide-Radical Magnetic Coupling in [LnPc2]0: Competing Exchange Mechanisms Captured via Ab Initio Multi-Reference Calculations”, QUANTUM MATERIALS RESEARCH, vol. 1, p. e200003, 2020.
, “Mechanisms of spin-charge conversion for the electrical readout of 4f quantum states in a TbPc2 single-molecule magnet spin transistor”, PHYSICAL REVIEW B, vol. 102, p. 045313, 2020.
, “Origin of the hysteresis of magnetoconductance in a supramolecular spin-valve based on a TbPc2 single-molecule magnet”, PHYSICAL REVIEW B, vol. 102, p. 125310, 2020.
, “Molecular spintronics using single-molecule magnets under irradiation”, Physical Review B, vol. 99, p. 245404, 2019.
, “Radical-lanthanide ferromagnetic interaction in a TbIII bis-phthalocyaninato complex”, Phys. Rev. Materials, vol. 2, p. 024405, 2018.
, “Relay-Like Exchange Mechanism through a Spin Radical between TbPc2 Molecules and Graphene/Ni(111) Substrates”, ACS Nano, vol. 10, pp. 9353-9360, 2016.
, “Spin-communication channels between Ln(III) bis-phthalocyanines molecular nanomagnets and a magnetic substrate”, Scientific Reports, vol. 6, p. 21740, 2016.
, “Aromaticity of strongly bent benzene rings: persistence of a diatropic ring current and its shielding cone in [5] paracyclophane”, Physical Chemistry Chemical Physics, vol. 13, no. 37, pp. 16861–16866, 2011.
, “Non-perturbative magnetic phenomena in closed-shell paramagnetic molecules”, Physical Chemistry Chemical Physics, vol. 11, pp. 5489–5498, 2009.
, “Maps of current density using density-functional methods”, The Journal of Chemical Physics, vol. 129, p. 074101, 2008.
, “Nonperturbative ab initio calculations in strong magnetic fields using London orbitals”, The Journal of Chemical Physics, vol. 129, p. 154114, 2008.
, “A CASPT2 study of the electronic spectrum of hexacyanoosmate (III)”, Inorganic chemistry, vol. 46, pp. 8032–8037, 2007.
, “Effect of the metal environment on the ferromagnetic interaction in the Co-NC-W pairs of octacyanotungstate (V)-cobalt (II) three-dimensional networks”, Inorganic Chemistry, vol. 46, pp. 2682–2690, 2007.
, “A Unified Orbital Model of Delocalised and Localised Currents in Monocycles, from Annulenes to Azabora-heterocycles”, Chemistry–A European Journal, vol. 11, pp. 1257–1266, 2005.
, “Calculation of electric dipole hypershieldings at the nuclei in the Hellmann–Feynman approximation”, The Journal of Chemical Physics, vol. 120, pp. 3142–3151, 2004.
, “Design and synthesis of multi-component 18$π$ annulenic fluorofullerene ensembles suitable for donor–acceptor applications”, Organic & Biomolecular Chemistry, vol. 2, pp. 319–329, 2004.
“Which $π$-clamped conjugated monocycles exhibit ring currents?”, Organic & Biomolecular Chemistry, vol. 2, pp. 1281–1286, 2004.
, “Perimeter effects on ring currents in polycyclic aromatic hydrocarbons: Circumcoronene and two hexabenzocoronenes”, Chemistry–A European Journal, vol. 9, pp. 2974–2981, 2003.
, “Control of the diatropic $π$ ring current in strained benzenes: Effects of annelation with cyclopropa, cyclobuta, and cyclobutadieno clamping groups”, The Journal of Organic Chemistry, vol. 67, pp. 4753–4758, 2002.
, “Paratropic delocalized ring currents in flattened cyclooctatetraene systems with bond alternation”, Angewandte Chemie International Edition, vol. 41, pp. 1558–1560, 2002.
, “ZUSCHRIFTEN-Paratropic Delocalized Ring Currents in Flattened Cyclooctatetraene Systems with Bond Alternation”, Angewandte Chemie-German Edition, vol. 114, pp. 1628–1630, 2002.
, “Polyenes with maximum HOMO–LUMO gap”, Chemical Physics Letters, vol. 342, pp. 105–112, 2001.
, “Survival and extinction of delocalised ring currents in clamped benzenes”, Chemical Communications, pp. 2386–2387, 2001.
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