A. Soncini

activity

20162020

most citedCERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes

1 citations · 1 across the 1 of their papers we have counts for

collaborators

3 papers

cond-mat.str-el2020

Lanthanide-radical magnetic coupling in [LnPc $_{2}$ ] $^{0}$ : Competing exchange mechanisms captured via ab initio multi-reference calculations

Haibei Huang, Willem Van den Heuvel, Alessandro Soncini

We present a computational investigation of the intramolecular exchange coupling in [LnPc $_{2}$ ] $^{0}$ (Ln = Tb, Dy, Ho, and Er) between the Ln $^{3 +}$ 4f electrons and the spin-1/2 rad…

cond-mat.str-el2017★ 1 cited

CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes

Simone Calvello, Matteo Piccardo, Shashank V. Rao +1

We have developed and implemented a new ab initio code, CERES (Computational Emulator of Rare Earth Systems), completely written in C++11, which is dedicated to the efficient calcu…

physics.chem-ph2016

Room temperature chiral discrimination in paramagnetic NMR spectroscopy

Alessandro Soncini, Simone Calvello

A recently proposed theory of chiral discrimination in NMR spectroscopy based on the detection of a molecular electric polarization $P$ rotating in a plane perpendicular t…

Lanthanide-radical magnetic coupling in [LnPc2​]0: Competing exchange mechanisms captured via ab initio multi-reference calculations

CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes

Room temperature chiral discrimination in paramagnetic NMR spectroscopy

Lanthanide-radical magnetic coupling in [LnPc $_{2}$ ] $^{0}$ : Competing exchange mechanisms captured via ab initio multi-reference calculations