Publications by authors named "Simone Calvello"

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-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering.
Maja A Dunstan, Marcus J Giansiracusa, Simone Calvello, Lorenzo Sorace, Anwen M Krause-Heuer

Chem Sci· March 2024

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Direct observation of magnetoelastic coupling in a molecular spin qubit: new insights from crystal field neutron scattering data.
Maja A Dunstan, Marcus J Giansiracusa, Michele Vonci, Simone Calvello, Dehong Yu

Chem Sci· April 2023

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Inelastic Neutron Scattering Measurement of the Ground State Tunneling Gap in Tb and Ho Analogues of a Dy Field-Induced Single-Molecule Magnet.
Aiden M Atkin, Marcus J Giansiracusa, Simone Calvello, Elodie Rousset, Robert W Gable

Inorg Chem· January 2023

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Effect of magnetic anisotropy on direct chiral discrimination in paramagnetic NMR spectroscopy.
Simone Calvello, Alessandro Soncini

Phys Chem Chem Phys· April 2020

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Metal Cluster Electrides: A New Type of Molecular Electride with Delocalised Polyattractor Character.
Ouissam El Bakouri, Verònica Postils, Marc Garcia-Borràs, Miquel Duran, Josep M Luis, Simone Calvello

Chemistry· July 2018

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CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes.
Simone Calvello, Matteo Piccardo, Shashank Vittal Rao, Alessandro Soncini

J Comput Chem· March 2018

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Configuration-averaged 4f orbitals in ab initio calculations of low-lying crystal field levels in lanthanide(iii) complexes.
Willem Van den Heuvel, Simone Calvello, Alessandro Soncini

Phys Chem Chem Phys· June 2016

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Room Temperature Chiral Discrimination in Paramagnetic NMR Spectroscopy.
Alessandro Soncini, Simone Calvello

Phys Rev Lett· April 2016

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