SONCINI, ALESSANDRO
SONCINI, ALESSANDRO
Dipartimento di Scienze Chimiche - DiSC
A diatropic ring current in a fluorofullerene trannulene
2003 Burley, G. A.; Fowler, P. W.; Soncini, A.; Sandall, J. P. B.; Taylor, R.
A full-pivoting algorithm for the Cholesky decomposition of two-electron repulsion and spin-orbit coupling integrals
2017 Piccardo, M.; Soncini, A.
A parity rule for ring currents in π-clamped monocycles
2004 Soncini, A.; Fowler, P. W.; Jenneskens, L. W.
A unified orbital model of delocalised and localised currents in monocycles, from annulenes to azabora-heterocycles
2005 Soncini, A.; Domene, C.; Engelberts, J. J.; Fowler, P. W.; Rassat, A.; Van Lenthe, J. H.; Havenith, R. W. A.; Jenneskens, L. W.
Ab initio calculations as a quantitative tool in the inelastic neutron scattering study of a single-molecule magnet analogue
2016 Vonci, M.; Giansiracusa, M. J.; Gable, R. W.; Van Den Heuvel, W.; Latham, K.; Moubaraki, B.; Murray, K. S.; Yu, D.; Mole, R. A.; Soncini, A.; Boskovic, C.
Ab initio non-covalent crystal field theory for lanthanide complexes: a multiconfigurational non-orthogonal group function approach
2022 Soncini, A.; Piccardo, M.
Ab initio-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering
2024 Dunstan, M. A.; Giansiracusa, M. J.; Calvello, S.; Sorace, L.; Krause-Heuer, A. M.; Soncini, A.; Mole, R. A.; Boskovic, C.
An efficient coupled Hartree-Fock computational scheme for parity-violating energy differences in enantiomeric molecules
2002 Gnani, M.; Lazzeretti, P.; Ligabue, A.; Pincelli, U.; Soncini, A.
An electrostatic model for the determination of magnetic anisotropy in dysprosium complexes
2013 Chilton, N. F.; Collison, D.; Mcinnes, E. J. L.; Winpenny, R. E. P.; Soncini, A.
Angular momentum and spectral decomposition of ring currents: Aromaticity and the annulene model
2005 Soncini, A.; Fowler, P. W.; Jenneskens, L. W.
Aromaticity of organic heterocyclothiazenes and analogues
2004 Fowler, P. W.; Rees, C. W.; Soncini, A.
Aromaticity of ring carbo-mers of [N]annulenes and [N]cycloalkanes
2008 Soncini, A.; Fowler, P. W.; Lepetit, C.; Chauvin, R.
Aromaticity of strongly bent benzene rings: Persistence of a diatropic ring current and its shielding cone in [5]paracyclophane
2011 Jenneskens, L. W.; Havenith, R. W. A.; Soncini, A.; Fowler, P. W.
Aromaticity, polarisability and ring current
2004 Fowler, P. W.; Soncini, A.
Aromatization of fulvene by complexation with lithium
2010 Oziminski, W. P.; Krygowski, T. M.; Fowler, P. W.; Soncini, A.
C6h-hexa-azahexaborine, [(CH)BN]6: Structure and magnetic properties of a proposed 18-electron aromatic ring
2001 Soncini, A.; Fowler, P. W.; Cernusakc, I.; Steinera, E.
Calculation of electric dipole hypershieldings at the nuclei in the Hellmann-Feynman approximation
2004 Soncini, A.; Lazzeretti, P.; Bakken, V.; Helgaker, T.
Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies
2016 Giansiracusa, M. J.; Vonci, M.; Van Den Heuvel, W.; Gable, R. W.; Moubaraki, B.; Murray, K. S.; Yu, D.; Mole, R. A.; Soncini, A.; Boskovic, C.
CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes
2018 Calvello, S.; Piccardo, M.; Rao, S. V.; Soncini, A.
Charge and spin currents in open-shell molecules: A unified description of NMR and EPR observables
2007 Soncini, A.