Simone Calvello

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Author Title [ Year(Asc)]
Filters: Author is Simone Calvello
2018
S. Calvello, Piccardo, M., Rao, S. Vittal, and Soncini, A., “CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes”, Journal of Computational Chemistry, vol. 39, pp. 328–337, 2018.
O. El Bakouri, Postils, V., Garcia-Borràs, M., Duran, M., Luis, J. M., Calvello, S., Soncini, A., Matito, E., Feixas, F., and Solà, M., “Metal Cluster Electrides: A New Type of Molecular Electride with Delocalised Polyattractor Character”, Chemistry - A European Journal, vol. 24, pp. 9853–9859, 2018.
2016
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.
A. Soncini and Calvello, S., “Room temperature chiral discrimination in paramagnetic NMR spectroscopy”, Physical Review Letters, vol. 116, p. 163001, 2016.