PHI: A powerful new program for the analysis of anisotropic monomeric and exchange‐coupled polynuclear d‐ and f‐block complexes NF Chilton, RP Anderson, LD Turner, A Soncini, KS Murray Journal of Computational Chemistry 34 (13), 1164-1175, 2013 | 1905 | 2013 |
The origin of nonmagnetic Kramers doublets in the ground state of dysprosium triangles: evidence for a toroidal magnetic moment L Chibotaru, L Ungur, A Soncini Angewandte Chemie-International Edition 47 (22), 4126-4129, 2008 | 726 | 2008 |
An electrostatic model for the determination of magnetic anisotropy in dysprosium complexes NF Chilton, D Collison, EJL McInnes, REP Winpenny, A Soncini Nature communications 4 (1), 2551, 2013 | 589 | 2013 |
Single molecule magnetism in a family of mononuclear β-diketonate lanthanide (III) complexes: rationalization of magnetic anisotropy in complexes of low symmetry NF Chilton, SK Langley, B Moubaraki, A Soncini, SR Batten, KS Murray Chemical Science 4 (4), 1719-1730, 2013 | 233 | 2013 |
Nonperturbative ab initio calculations in strong magnetic fields using London orbitals EI Tellgren, A Soncini, T Helgaker The Journal of chemical physics 129 (15), 2008 | 125 | 2008 |
NMR chemical shift as analytical derivative of the Helmholtz free energy W Van den Heuvel, A Soncini The Journal of chemical physics 138 (5), 2013 | 103 | 2013 |
Ferrotoroidic ground state in a heterometallic {CrIIIDyIII6} complex displaying slow magnetic relaxation KR Vignesh, A Soncini, SK Langley, W Wernsdorfer, KS Murray, ... Nature communications 8 (1), 1023, 2017 | 99 | 2017 |
Perimeter effects on ring currents in polycyclic aromatic hydrocarbons: Circumcoronene and two hexabenzocoronenes A Soncini, E Steiner, PW Fowler, RWA Havenith, LW Jenneskens Chemistry–A European Journal 9 (13), 2974-2981, 2003 | 95 | 2003 |
NMR chemical shift in an electronic state with arbitrary degeneracy W Van den Heuvel, A Soncini Physical review letters 109 (7), 073001, 2012 | 94 | 2012 |
Why downfield proton chemical shifts are not reliable aromaticity indicators F Faglioni, A Ligabue, S Pelloni, A Soncini, RG Viglione, MB Ferraro, ... Organic Letters 7 (16), 3457-3460, 2005 | 94 | 2005 |
Ring-current aromaticity in open-shell systems A Soncini, PW Fowler Chemical Physics Letters 450 (4-6), 431-436, 2008 | 90 | 2008 |
Current-density maps as probes of aromaticity: global and Clar π ring currents in totally resonant polycyclic aromatic hydrocarbons E Steiner, PW Fowler, A Soncini, LW Jenneskens Faraday discussions 135, 309-323, 2007 | 87 | 2007 |
Non-perturbative magnetic phenomena in closed-shell paramagnetic molecules EI Tellgren, T Helgaker, A Soncini Physical Chemistry Chemical Physics 11 (26), 5489-5498, 2009 | 85 | 2009 |
Toroidal magnetic states in molecular wheels: Interplay between isotropic exchange interactions and local magnetic anisotropy A Soncini, LF Chibotaru Physical Review B—Condensed Matter and Materials Physics 77 (22), 220406, 2008 | 83 | 2008 |
Control of the diatropic π ring current in strained benzenes: Effects of annelation with cyclopropa, cyclobuta, and cyclobutadieno clamping groups A Soncini, RWA Havenith, PW Fowler, LW Jenneskens, E Steiner The Journal of Organic Chemistry 67 (14), 4753-4758, 2002 | 79 | 2002 |
Paratropic delocalized ring currents in flattened cyclooctatetraene systems with bond alternation PW Fowler, RWA Havenith, LW Jenneskens, A Soncini, E Steiner Angewandte Chemie International Edition 41 (9), 1558-1560, 2002 | 74 | 2002 |
Communication: Paramagnetic NMR chemical shift in a spin state subject to zero-field splitting A Soncini, W Van den Heuvel The Journal of Chemical Physics 138 (2), 2013 | 73 | 2013 |
Full spectral decomposition of ring currents E Steiner, A Soncini, PW Fowler The Journal of Physical Chemistry A 110 (47), 12882-12886, 2006 | 72 | 2006 |
Magnetic excitations in polyoxotungstate-supported lanthanoid single-molecule magnets: an inelastic neutron scattering and ab initio study M Vonci, MJ Giansiracusa, W Van den Heuvel, RW Gable, B Moubaraki, ... Inorganic Chemistry 56 (1), 378-394, 2017 | 70 | 2017 |
A Unified Orbital Model of Delocalised and Localised Currents in Monocycles, from Annulenes to Azabora‐heterocycles A Soncini, C Domene, JJ Engelberts, PW Fowler, A Rassat, ... Chemistry–A European Journal 11 (4), 1257-1266, 2005 | 69 | 2005 |