List of Publications
“Aromaticity, polarisability and ring current”, Chemical Physics Letters, vol. 383, pp. 507–511, 2004.
, “ZUSCHRIFTEN-Paratropic Delocalized Ring Currents in Flattened Cyclooctatetraene Systems with Bond Alternation”, Angewandte Chemie-German Edition, vol. 114, pp. 1628–1630, 2002.
, “Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets”, NATURE CHEMISTRY, vol. 12, p. 213+, 2020.
, “Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies”, Inorganic Chemistry, vol. 55, p. 5201, 2016.
, “An efficient coupled Hartree–Fock computational scheme for parity-violating energy differences in enantiomeric molecules”, Computer Physics Communications, vol. 144, pp. 130–140, 2002.
, “Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies”, CHEMICAL SCIENCE, vol. 10, pp. 8855-8871, 2019.
, “Which $π$-clamped conjugated monocycles exhibit ring currents?”, Organic & Biomolecular Chemistry, vol. 2, pp. 1281–1286, 2004.
, “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.
, “Molecular spintronics using single-molecule magnets under irradiation”, Physical Review B, vol. 99, p. 245404, 2019.
, “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.
, “Ring currents and magnetic properties of s-indacene, an archetypal paratropic, non-antiaromatic molecule”, The Journal of Physical Chemistry A, vol. 106, pp. 11806–11814, 2002.
, “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.
, “Radical-lanthanide ferromagnetic interaction in a TbIII bis-phthalocyaninato complex”, Phys. Rev. Materials, vol. 2, p. 024405, 2018.
, “Response tensors for chiral discrimination in NMR spectroscopy”, Theoretical Chemistry Accounts, vol. 119, pp. 99–106, 2008.
, “Few-layered graphene growth by carbon implantation into polycrystalline nickel substrate”, in COMMAD 2012, 2012.
, “The leap-frog effect of ring currents in benzene”, Journal of the American Chemical Society, vol. 124, pp. 2008–2014, 2002.
, “Relay-Like Exchange Mechanism through a Spin Radical between TbPc2 Molecules and Graphene/Ni(111) Substrates”, ACS Nano, vol. 10, pp. 9353-9360, 2016.
, “Aromatization of fulvene by complexation with lithium”, Organic letters, vol. 12, no. 21, pp. 4880–4883, 2010.
, “Magnetic response of dithiin molecules: is there anti-aromaticity in nature?”, Chemical Physics Letters, vol. 375, pp. 583–590, 2003.
, “A full-pivoting algorithm for the Cholesky decomposition of two-electron repulsion and spin-orbit coupling integrals”, Journal of Computational Chemistry, vol. 38, pp. 2775–2783, 2017.
, “Design of annulene-within-an-annulene systems by the altanisation approach. A study of altan-[n]annulenes”, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 22, pp. 5476-5486, 2020.
, “Toroidal moment in a family of spin -frustrated heterometallic triangular nanomagnets without spin -orbit coupling: Applications in a molecular spintronics device”, PHYSICA B-CONDENSED MATTER, vol. 592, p. 412237, 2020.
, “Slow Magnetic Relaxation in Lanthanoid Crown Ether Complexes: Interplay of Raman and Anomalous Phonon Bottleneck Processes”, Chemistry - A European Journal, vol. 24, pp. 14768–14785, 2018.
, “Invariance of magnetic-field induced current density to a continuous transformation of the origin of the coordinate system”, Chemical Physics Letters, vol. 421, pp. 21–26, 2006.
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