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Author [ Title] Year
Filters: Author is Alessandro Soncini  [Clear All Filters]
A
, 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.
, Angular momentum and spectral decomposition of ring currents: aromaticity and the annulene model, in Structure & Bonding: Intermolecular Forces and Clusters I, Springer Berlin Heidelberg, 2005, pp. 57–79.
, Aromaticity of organic heterocyclothiazenes and analogues, Journal of the American Chemical Society, vol. 126, pp. 11202–11212, 2004.
, Aromaticity of ring carbo-mers of [N] annulenes and [N] cycloalkanes, Physical Chemistry Chemical Physics, vol. 10, pp. 957–964, 2008.
, 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.
, Aromaticity, polarisability and ring current, Chemical Physics Letters, vol. 383, pp. 507–511, 2004.
, Aromatization of fulvene by complexation with lithium, Organic letters, vol. 12, no. 21, pp. 4880–4883, 2010.
C
, C$_{6h}$-Hexa-azahexaborine,[(CH)BN]₆: structure and magnetic properties of a proposed 18-electron aromatic ring, Physical Chemistry Chemical Physics, vol. 3, pp. 3920–3923, 2001.
, Calculation of electric dipole hypershieldings at the nuclei in the Hellmann–Feynman approximation, The Journal of Chemical Physics, vol. 120, pp. 3142–3151, 2004.
, Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies, Inorganic Chemistry, vol. 55, p. 5201, 2016.
, CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes, Journal of Computational Chemistry, vol. 39, pp. 328–337, 2018.
A. Soncini, Charge and spin currents in open-shell molecules: A unified description of NMR and EPR observables, Journal of chemical theory and computation, vol. 3, pp. 2243–2257, 2007.
, Communication: Paramagnetic NMR chemical shift in a spin state subject to zero-field splitting, The Journal of chemical physics, vol. 138, p. 021103, 2013.
, Complete spectrum of the infinite-U Hubbard ring using group theory, The Journal of chemical physics, vol. 140, p. 184113, 2014.
, Configuration-averaged 4f orbitals in ab initio calculations of low-lying crystal field levels in lanthanide (III) complexes, Physical Chemistry Chemical Physics, 2016.
, 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.
, Counter-Rotating Spin-Polarised Ring Currents in Odd-Electron Carbocycles, Chemistry–A European Journal, vol. 19, pp. 1740–1746, 2013.
, Critique of the Multipath Model for 1J (C, C) Nuclear Spin–Spin Coupling via Electron Current Induced by 13C Nuclear Magnetic Dipoles, ChemPhysChem, vol. 7, pp. 679–684, 2006.
, Current-density maps as probes of aromaticity: global and Clar $π$ ring currents in totally resonant polycyclic aromatic hydrocarbons, Faraday Discussions, vol. 135, pp. 309–323, 2007.
D
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.
, A diatropic ring current in a fluorofullerene trannulene, Chemical Communications, pp. 3042–3043, 2003.
, Dirac cones in the spectrum of bond-decorated graphenes, The Journal of chemical physics, vol. 140, p. 234114, 2014.
, Double aromaticity and ring currents in open-shell systems, Chemical Physics Letters, vol. 483, pp. 193–197, 2009.