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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.
Inorg Chem. 2023 Jan 23;62(3):1141-1155. doi: 10.1021/acs.inorgchem.2c03457. Epub 2023 Jan 11.
Inorg Chem. 2023.
PMID: 36630675
Room Temperature Chiral Discrimination in Paramagnetic NMR Spectroscopy.
Soncini A, Calvello S.
Soncini A, et al. Among authors: calvello s.
Phys Rev Lett. 2016 Apr 22;116(16):163001. doi: 10.1103/PhysRevLett.116.163001. Epub 2016 Apr 18.
Phys Rev Lett. 2016.
PMID: 27152797
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Configuration-averaged 4f orbitals in ab initio calculations of low-lying crystal field levels in lanthanide(iii) complexes.
Van den Heuvel W, Calvello S, Soncini A.
Van den Heuvel W, et al. Among authors: calvello s.
Phys Chem Chem Phys. 2016 Jun 21;18(23):15807-14. doi: 10.1039/c6cp02325h. Epub 2016 May 27.
Phys Chem Chem Phys. 2016.
PMID: 27231024
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CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes.
Calvello S, Piccardo M, Rao SV, Soncini A.
Calvello S, et al.
J Comput Chem. 2018 Mar 5;39(6):328-337. doi: 10.1002/jcc.25113. Epub 2017 Nov 20.
J Comput Chem. 2018.
PMID: 29159814
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Effect of magnetic anisotropy on direct chiral discrimination in paramagnetic NMR spectroscopy.
Calvello S, Soncini A.
Calvello S, et al.
Phys Chem Chem Phys. 2020 Apr 29;22(16):8427-8441. doi: 10.1039/d0cp00539h.
Phys Chem Chem Phys. 2020.
PMID: 32270835
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Direct observation of magnetoelastic coupling in a molecular spin qubit: new insights from crystal field neutron scattering data.
Dunstan MA, Giansiracusa MJ, Vonci M, Calvello S, Yu D, Soncini A, Boskovic C, Mole RA.
Dunstan MA, et al. Among authors: calvello s.
Chem Sci. 2023 Mar 6;14(15):3990-4001. doi: 10.1039/d2sc05797b. eCollection 2023 Apr 12.
Chem Sci. 2023.
PMID: 37063800
Free PMC article.
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Metal Cluster Electrides: A New Type of Molecular Electride with Delocalised Polyattractor Character.
El Bakouri O, Postils V, Garcia-Borràs M, Duran M, Luis JM, Calvello S, Soncini A, Matito E, Feixas F, Solà M.
El Bakouri O, et al. Among authors: calvello s.
Chemistry. 2018 Jul 11;24(39):9853-9859. doi: 10.1002/chem.201800878. Epub 2018 Jun 13.
Chemistry. 2018.
PMID: 29665099
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Ab initio-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering.
Dunstan MA, Giansiracusa MJ, Calvello S, Sorace L, Krause-Heuer AM, Soncini A, Mole RA, Boskovic C.
Dunstan MA, et al. Among authors: calvello s.
Chem Sci. 2024 Feb 13;15(12):4466-4477. doi: 10.1039/d3sc04229d. eCollection 2024 Mar 20.
Chem Sci. 2024.
PMID: 38516080
Free PMC article.
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