List of Publications
“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.
, “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.
, “Mechanisms of spin-mixing instabilities in antiferromagnetic molecular wheels”, Physical Review Letters, vol. 99, p. 077204, 2007.
, “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.
, “Efficient mapping of ring currents in fullerenes and other curved carbon networks”, Comptes Rendus Chimie, vol. 9, pp. 1085–1093, 2006.
, “Full spectral decomposition of ring currents”, The Journal of Physical Chemistry A, vol. 110, pp. 12882–12886, 2006.
, “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.
, “Ring Currents in Tangentially pp Bonded $\sigma$-Aromatic Systems”, The Journal of organic chemistry, vol. 71, pp. 6459–6467, 2006.
, “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.
, “Electric-field perturbations of ring currents in $π$ systems”, Chemical Physics Letters, vol. 405, pp. 136–141, 2005.
, “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.
, “Rare-gas insertion compounds of perfluorobenzene: Aromaticity of some unstable species”, Journal of Chemical Physics, vol. 123, pp. 174309–174309, 2005.
, “Ring currents in the porphyrins: $π$ shielding, delocalisation pathways and the central cation”, Organic & Biomolecular Chemistry, vol. 3, pp. 4053–4059, 2005.
, “Ring-current signatures in shielding-density maps”, Chemical Physics Letters, vol. 401, pp. 164–169, 2005.
, “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.
, “Why downfield proton chemical shifts are not reliable aromaticity indicators”, Organic Letters, vol. 7, pp. 3457–3460, 2005.
, “Aromaticity of organic heterocyclothiazenes and analogues”, Journal of the American Chemical Society, vol. 126, pp. 11202–11212, 2004.
, “Aromaticity, polarisability and ring current”, Chemical Physics Letters, vol. 383, pp. 507–511, 2004.
, “Calculation of electric dipole hypershieldings at the nuclei in the Hellmann–Feynman approximation”, The Journal of Chemical Physics, vol. 120, pp. 3142–3151, 2004.
, “Design and synthesis of multi-component 18$π$ annulenic fluorofullerene ensembles suitable for donor–acceptor applications”, Organic & Biomolecular Chemistry, vol. 2, pp. 319–329, 2004.
“Frontier-orbital ring currents and the annulene analogy”, Polycyclic Aromatic Compounds, vol. 24, pp. 353–366, 2004.
, “Ipsocentric and allocentric methods of mapping induced current density”, Chemical Physics Letters, vol. 396, pp. 174–181, 2004.
, “Molecular response to a time-independent non-uniform magnetic-field”, Chemical Physics, vol. 304, pp. 289–299, 2004.
, “Non-linear ring currents: effect of strong magnetic fields on $π$-electron circulation”, Chemical Physics Letters, vol. 400, pp. 213–220, 2004.
, “A parity rule for ring currents in $π$-clamped monocycles”, Physical Chemistry Chemical Physics, vol. 6, pp. 4921–4923, 2004.
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