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Calvello, Simone
8  Ergebnisse:
Artikel (Online) X
Personensuche X
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1

Ab initio-based determination of lanthanoid–radical exchang..:

Dunstan, Maja A. ; Giansiracusa, Marcus J. ; Calvello, Simone...
Chemical Science.  15 (2024)  12 - p. 4466-4477 , 2024
Link: https://doi.org/10.1039/..
 
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2

Inelastic Neutron Scattering Measurement of the Ground Stat..:

Atkin, Aiden M. ; Giansiracusa, Marcus J. ; Calvello, Simone...
Inorganic Chemistry.  62 (2023)  3 - p. 1141-1155 , 2023
Link: https://doi.org/10.1021/..
 
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3

Direct observation of magnetoelastic coupling in a molecula..:

Dunstan, Maja A. ; Giansiracusa, Marcus J. ; Vonci, Michele...
Chemical Science.  14 (2023)  15 - p. 3990-4001 , 2023
Link: https://doi.org/10.1039/..
 
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4

Effect of magnetic anisotropy on direct chiral discriminati..:

Calvello, Simone ; Soncini, Alessandro
Physical Chemistry Chemical Physics.  22 (2020)  16 - p. 8427-8441 , 2020
Link: https://doi.org/10.1039/..
 
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5

Metal Cluster Electrides: A New Type of Molecular Electride..:

El Bakouri, Ouissam ; Postils, Verònica ; Garcia‐Borràs, Marc...
Chemistry – A European Journal.  24 (2018)  39 - p. 9853-9859 , 2018
Link: https://doi.org/10.1002/..
 
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6

CERES: Anab initiocode dedicated to the calculation of the ..:

Calvello, Simone ; Piccardo, Matteo ; Rao, Shashank Vittal.
Journal of Computational Chemistry.  39 (2017)  6 - p. 328-337 , 2017
Link: https://doi.org/10.1002/..
 
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7

Room Temperature Chiral Discrimination in Paramagnetic NMR ..:

Soncini, Alessandro ; Calvello, Simone
Physical Review Letters.  116 (2016)  16 - p. , 2016
Link: https://doi.org/10.1103/..
 
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8

Configuration-averaged 4f orbitals in ab initio calculation..:

Van den Heuvel, Willem ; Calvello, Simone ; Soncini, Alessandro
Physical Chemistry Chemical Physics.  18 (2016)  23 - p. 15807-15814 , 2016
Link: https://doi.org/10.1039/..
 
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