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Export 95 results:
Author Title [ Year(Desc)]
Filters: Taxonomy Term is Soncini Group  [Clear All Filters]
2004
A. Soncini and Fowler, P. W., “Non-linear ring currents: effect of strong magnetic fields on $π$-electron circulation”, Chemical Physics Letters, vol. 400, pp. 213–220, 2004.
A. Soncini, Fowler, P. W., and Jenneskens, L. W., “A parity rule for ring currents in $π$-clamped monocycles”, Physical Chemistry Chemical Physics, vol. 6, pp. 4921–4923, 2004.
A. Soncini, Fowler, P. W., and Jenneskens, L. W., “Ring currents in large [4 n+ 2]-annulenes”, Physical Chemistry Chemical Physics, vol. 6, pp. 277–284, 2004.
R. W. A. Havenith, Jenneskens, L. W., Fowler, P. W., and Soncini, A., “Which $π$-clamped conjugated monocycles exhibit ring currents?”, Organic & Biomolecular Chemistry, vol. 2, pp. 1281–1286, 2004.
2005
A. Soncini, Fowler, P. W., and Jenneskens, L. W., “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.
A. Soncini, Fowler, P. W., and Zerbetto, F., “Electric-field perturbations of ring currents in $π$ systems”, Chemical Physics Letters, vol. 405, pp. 136–141, 2005.
A. Soncini and Lazzeretti, P., “Interpretation of vicinal spin–spin coupling constants in ethane via the current-density induced by nuclear magnetic dipoles”, Chemical Physics Letters, vol. 409, pp. 177–186, 2005.
J. Baker, Fowler, P. W., Soncini, A., and Lillington, M., “Rare-gas insertion compounds of perfluorobenzene: Aromaticity of some unstable species”, Journal of Chemical Physics, vol. 123, pp. 174309–174309, 2005.
E. Steiner, Soncini, A., and Fowler, P. W., “Ring currents in the porphyrins: $π$ shielding, delocalisation pathways and the central cation”, Organic & Biomolecular Chemistry, vol. 3, pp. 4053–4059, 2005.
A. Soncini, Fowler, P. W., Lazzeretti, P., and Zanasi, R., “Ring-current signatures in shielding-density maps”, Chemical Physics Letters, vol. 401, pp. 164–169, 2005.
A. Soncini, Domene, C., Engelberts, J. J., Fowler, P. W., Rassat, A., van Lenthe, J. H., Havenith, R. W. A., and Jenneskens, L. W., “A Unified Orbital Model of Delocalised and Localised Currents in Monocycles, from Annulenes to Azabora-heterocycles”, Chemistry–A European Journal, vol. 11, pp. 1257–1266, 2005.
F. Faglioni, Ligabue, A., Pelloni, S., Soncini, A., Viglione, R. G., Ferraro, M. B., Zanasi, R., and Lazzeretti, P., “Why downfield proton chemical shifts are not reliable aromaticity indicators”, Organic Letters, vol. 7, pp. 3457–3460, 2005.
2006
A. Soncini and Lazzeretti, P., “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.
A. Soncini, Viglione, R. G., Zanasi, R., Fowler, P. W., and Jenneskens, L. W., “Efficient mapping of ring currents in fullerenes and other curved carbon networks”, Comptes Rendus Chimie, vol. 9, pp. 1085–1093, 2006.
E. Steiner, Soncini, A., and Fowler, P. W., “Full spectral decomposition of ring currents”, The Journal of Physical Chemistry A, vol. 110, pp. 12882–12886, 2006.
A. Soncini, Lazzeretti, P., and Zanasi, R., “Invariance of magnetic-field induced current density to a continuous transformation of the origin of the coordinate system”, Chemical Physics Letters, vol. 421, pp. 21–26, 2006.
P. W. Fowler, Rogowska, A., Soncini, A., Lillington, M., and Olson, L. P., “Ring Currents in Tangentially pp Bonded $\sigma$-Aromatic Systems”, The Journal of organic chemistry, vol. 71, pp. 6459–6467, 2006.
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.
E. Steiner, Fowler, P. W., Soncini, A., and Jenneskens, L. W., “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.
S. Clima, Hendrickx, M. F. A., Chibotaru, L. F., Soncini, A., Mironov, V., and Ceulemans, A., “Effect of the metal environment on the ferromagnetic interaction in the Co-NC-W pairs of octacyanotungstate (V)-cobalt (II) three-dimensional networks”, Inorganic Chemistry, vol. 46, pp. 2682–2690, 2007.
A. Soncini and Chibotaru, L. F., “Mechanisms of spin-mixing instabilities in antiferromagnetic molecular wheels”, Physical Review Letters, vol. 99, p. 077204, 2007.
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.