List of Publications
“Aromaticity of ring carbo-mers of [N] annulenes and [N] cycloalkanes”, Physical Chemistry Chemical Physics, vol. 10, pp. 957–964, 2008.
, “Counter-Rotating Spin-Polarised Ring Currents in Odd-Electron Carbocycles”, Chemistry–A European Journal, vol. 19, pp. 1740–1746, 2013.
, “Non-linear ring currents: effect of strong magnetic fields on $π$-electron circulation”, Chemical Physics Letters, vol. 400, pp. 213–220, 2004.
, “Room temperature chiral discrimination in paramagnetic NMR spectroscopy”, Physical Review Letters, vol. 116, p. 163001, 2016.
, “Parity-violating effects in asymmetric chemical reactions: A theoretical study on the CHFClBr molecule”, Physical Review E, vol. 62, p. 8395, 2000.
, “A parity rule for ring currents in $π$-clamped monocycles”, Physical Chemistry Chemical Physics, vol. 6, pp. 4921–4923, 2004.
, “Ring currents in large [4 n+ 2]-annulenes”, Physical Chemistry Chemical Physics, vol. 6, pp. 277–284, 2004.
, “Maps of current density using density-functional methods”, The Journal of Chemical Physics, vol. 129, p. 074101, 2008.
, “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.
, “Ring-current aromaticity in open-shell systems”, Chemical Physics Letters, vol. 450, pp. 431–436, 2008.
, “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.
, “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.
, “Control of the diatropic $π$ ring current in strained benzenes: Effects of annelation with cyclopropa, cyclobuta, and cyclobutadieno clamping groups”, The Journal of Organic Chemistry, vol. 67, pp. 4753–4758, 2002.
, “Calculation of electric dipole hypershieldings at the nuclei in the Hellmann–Feynman approximation”, The Journal of Chemical Physics, vol. 120, pp. 3142–3151, 2004.
, “Ring-current signatures in shielding-density maps”, Chemical Physics Letters, vol. 401, pp. 164–169, 2005.
, “Toroidal magnetic states in molecular wheels: Interplay between isotropic exchange interactions and local magnetic anisotropy”, Physical Review B, vol. 77, p. 220406, 2008.
, “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.
, “Nuclear spin-spin coupling density in molecules”, The Journal of Chemical Physics, vol. 118, pp. 7165–7173, 2003.
, “Molecular spintronics using noncollinear magnetic molecules”, Physical Review B, vol. 81, no. 13, p. 132403, 2010.
, “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.
, “Efficient mapping of ring currents in fullerenes and other curved carbon networks”, Comptes Rendus Chimie, vol. 9, pp. 1085–1093, 2006.
, “Parity-violating contributions to nuclear magnetic shielding”, Physical Review A, vol. 68, p. 033402, 2003.
, “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.
, “Complete spectrum of the infinite-U Hubbard ring using group theory”, The Journal of chemical physics, vol. 140, p. 184113, 2014.
, “Ipsocentric and allocentric methods of mapping induced current density”, Chemical Physics Letters, vol. 396, pp. 174–181, 2004.
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