List of Publications

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Export 95 results:
Author Title [ Year(Asc)]
Filters: Taxonomy Term is Soncini Group  [Clear All Filters]
2014
A. Soncini and Van den Heuvel, W., “Complete spectrum of the infinite-U Hubbard ring using group theory”, The Journal of chemical physics, vol. 140, p. 184113, 2014.
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.
2013
A. Soncini and Van den Heuvel, W., “Communication: Paramagnetic NMR chemical shift in a spin state subject to zero-field splitting”, The Journal of chemical physics, vol. 138, p. 021103, 2013.
A. Soncini and Fowler, P. W., “Counter-Rotating Spin-Polarised Ring Currents in Odd-Electron Carbocycles”, Chemistry–A European Journal, vol. 19, pp. 1740–1746, 2013.
N. F. Chilton, Collison, D., McInnes, E. J. L., Winpenny, R. E. P., and Soncini, A., “An electrostatic model for the determination of magnetic anisotropy in dysprosium complexes”, Nature communications, vol. 4, 2013.
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.
N. F. Chilton, Anderson, R. P., Turner, L. D., Soncini, A., and Murray, K. S., “PHI: A powerful new program for the analysis of anisotropic monomeric and exchange-coupled polynuclear d-and f-block complexes”, Journal of computational chemistry, vol. 34, pp. 1164–1175, 2013.
N. F. Chilton, Langley, S. K., Moubaraki, B., Soncini, A., Batten, S. R., and Murray, K. S., “Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(III) complexes: rationalization of magnetic anisotropy in complexes of low symmetry”, Chemical Science, vol. 4, pp. 1719–1730, 2013.
2012
K. Keung Lee, Shiell, T., McCallum, J. C., Szymanski, R., Soncini, A., Boskovic, C., and Jamieson, D. N., “Few-layered graphene growth by carbon implantation into polycrystalline nickel substrate”, in COMMAD 2012, 2012.
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.
2011
L. W. Jenneskens, Havenith, R. W. A., Soncini, A., and Fowler, P. W., “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.
P. W. Fowler and Soncini, A., “Visualising aromaticity of bowl-shaped molecules”, Physical Chemistry Chemical Physics, vol. 13, no. 46, pp. 20637–20643, 2011.
2010
W. P. Oziminski, Krygowski, T. M., Fowler, P. W., and Soncini, A., “Aromatization of fulvene by complexation with lithium”, Organic letters, vol. 12, no. 21, pp. 4880–4883, 2010.
A. Soncini, Mallah, T., and Chibotaru, L. F., “Molecular Spintronics in Mixed-Valence Magnetic Dimers: The Double-Exchange Blockade Mechanism”, Journal of the American Chemical Society, vol. 132, no. 23, pp. 8106–8114, 2010.
A. Soncini and Chibotaru, L. F., “Molecular spintronics using noncollinear magnetic molecules”, Physical Review B, vol. 81, no. 13, p. 132403, 2010.
2009
D. E. Bean, Fowler, P. W., and Soncini, A., “Double aromaticity and ring currents in open-shell systems”, Chemical Physics Letters, vol. 483, pp. 193–197, 2009.
E. I. Tellgren, Helgaker, T., and Soncini, A., “Non-perturbative magnetic phenomena in closed-shell paramagnetic molecules”, Physical Chemistry Chemical Physics, vol. 11, pp. 5489–5498, 2009.
2008
A. Soncini, Fowler, P. W., Lepetit, C., and Chauvin, R., “Aromaticity of ring carbo-mers of [N] annulenes and [N] cycloalkanes”, Physical Chemistry Chemical Physics, vol. 10, pp. 957–964, 2008.
A. Soncini, Teale, A. M., Helgaker, T., De Proft, F., and Tozer, D. J., “Maps of current density using density-functional methods”, The Journal of Chemical Physics, vol. 129, p. 074101, 2008.
E. I. Tellgren, Soncini, A., and Helgaker, T., “Nonperturbative ab initio calculations in strong magnetic fields using London orbitals”, The Journal of Chemical Physics, vol. 129, p. 154114, 2008.
L. F. Chibotaru, Ungur, L., and Soncini, A., “The origin of nonmagnetic Kramers doublets in the ground state of dysprosium triangles: Evidence for a toroidal magnetic moment”, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, vol. 47, pp. 4126-4129, 2008.
P. Lazzeretti, Soncini, A., and Zanasi, R., “Response tensors for chiral discrimination in NMR spectroscopy”, Theoretical Chemistry Accounts, vol. 119, pp. 99–106, 2008.
A. Soncini and Fowler, P. W., “Ring-current aromaticity in open-shell systems”, Chemical Physics Letters, vol. 450, pp. 431–436, 2008.
A. Soncini and Chibotaru, L. F., “Toroidal magnetic states in molecular wheels: Interplay between isotropic exchange interactions and local magnetic anisotropy”, Physical Review B, vol. 77, p. 220406, 2008.
2007
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.