List of Publications

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A
M. Vonci, Giansiracusa, M. J., Gable, R. W., Van den Heuvel, W., Latham, K., Moubaraki, B., Murray, K. S., Yu, D., Mole, R. A., Soncini, A., and Boskovic, C., “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.
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.
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.
C
M. J. Giansiracusa, Vonci, M., Van den Heuvel, W., Gable, R. W., Moubaraki, B., Murray, K. S., Yu, D., Mole, R. A., Soncini, A., and Boskovic, C., “Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies”, Inorganic Chemistry, vol. 55, p. 5201, 2016.
S. Calvello, Piccardo, M., Rao, S. Vittal, and Soncini, A., “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 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 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, Calvello, S., and Soncini, A., “Configuration-averaged 4f orbitals in ab initio calculations of low-lying crystal field levels in lanthanide (III) complexes”, Physical Chemistry Chemical Physics, 2016.
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.
D
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.
E
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.
F
K. R. Vignesh, Soncini, A., Langley, S. K., Wernsdorfer, W., Murray, K. S., and Rajaraman, G., “Ferrotoroidic ground state in a heterometallic CrIIIDyIII6 complex displaying slow magnetic relaxation”, Nature Communications, vol. 8, p. 1023, 2017.
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.
M. Piccardo and Soncini, A., “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.
M
M. Vonci, Giansiracusa, M. J., Van den Heuvel, W., Gable, R. W., Moubaraki, B., Murray, K. S., Yu, D., Mole, R. A., Soncini, A., and Boskovic, C., “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.
O. El Bakouri, Postils, V., Garcia-Borràs, M., Duran, M., Luis, J. M., Calvello, S., Soncini, A., Matito, E., Feixas, F., and Solà, M., “Metal Cluster Electrides: A New Type of Molecular Electride with Delocalised Polyattractor Character”, Chemistry - A European Journal, vol. 24, pp. 9853–9859, 2018.
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.
N
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.
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.
P
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.
R
D. Komijani, Ghirri, A., Bonizzoni, C., Klyatskaya, S., Moreno-Pineda, E., Ruben, M., Soncini, A., Affronte, M., and Hill, S., “Radical-lanthanide ferromagnetic interaction in a TbIII bis-phthalocyaninato complex”, Phys. Rev. Materials, vol. 2, p. 024405, 2018.
S. Marocchi, Candini, A., Klar, D., Van den Heuvel, W., Huang, H., Troiani, F., Corradini, V., Biagi, R., De Renzi, V., Klyatskaya, S., Kummer, K., Brookes, N. B., Ruben, M., Wende, H., del Pennino, U., Soncini, A., Affronte, M., and Bellini, V., “Relay-Like Exchange Mechanism through a Spin Radical between TbPc2 Molecules and Graphene/Ni(111) Substrates”, ACS Nano, vol. 10, pp. 9353-9360, 2016.
A. Soncini and Calvello, S., “Room temperature chiral discrimination in paramagnetic NMR spectroscopy”, Physical Review Letters, vol. 116, p. 163001, 2016.
S
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.