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M. Vonci, Giansiracusa, M. J., Gable, R. W., Van den Heuvel, W., Latham, K., Moubaraki, B., Murray, K. S., Yu, D., Mole, R. A., Soncini, A., and Boskovic, C., Ab initio calculations as a quantitative tool in the inelastic neutron scattering study of a single-molecule magnet analogue, Chemical Communications, vol. 52, no. 10, pp. 2091-2094, 2016.
M. Vonci, Giansiracusa, M. J., Van den Heuvel, W., Gable, R. W., Moubaraki, B., Murray, K. S., Yu, D., Mole, R. A., Soncini, A., and Boskovic, C., Magnetic Excitations in Polyoxotungstate-Supported Lanthanoid Single-Molecule Magnets: An Inelastic Neutron Scattering and ab Initio Study, Inorganic Chemistry, vol. 56, pp. 378-394, 2017.
K. R. Vignesh, Soncini, A., Langley, S. K., Wernsdorfer, W., Murray, K. S., and Rajaraman, G., Ferrotoroidic ground state in a heterometallic CrIIIDyIII6 complex displaying slow magnetic relaxation, Nature Communications, vol. 8, p. 1023, 2017.
W. Van den Heuvel, Calvello, S., and Soncini, A., Configuration-averaged 4f orbitals in ab initio calculations of low-lying crystal field levels in lanthanide (III) complexes, Physical Chemistry Chemical Physics, 2016.
W. Van den Heuvel and Soncini, A., Dirac cones in the spectrum of bond-decorated graphenes, The Journal of chemical physics, vol. 140, p. 234114, 2014.
W. Van den Heuvel and Soncini, A., NMR chemical shift as analytical derivative of the Helmholtz free energy, The Journal of chemical physics, vol. 138, p. 054113, 2013.
W. Van den Heuvel and Soncini, A., NMR chemical shift in an electronic state with arbitrary degeneracy, Physical review letters, vol. 109, no. 7, p. 073001, 2012.
F
P. W. Fowler and Soncini, A., Visualising aromaticity of bowl-shaped molecules, Physical Chemistry Chemical Physics, vol. 13, no. 46, pp. 20637–20643, 2011.