activity
20132024
most citedMagnetic state of pyrochlore Cd2Os2O7 emerging from strong competition of ligand distortions and longer-range crystalline anisotropy

71 citations · 99 across the 6 of their papers we have counts for

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5 papers · 1 filter

physics.chem-ph2024

Is the protactinium(V) mono-oxo bond weaker than what we thought?

Tamara Shaaban, Hanna Oher, Jean Aupiais +10

The bond distance is the simplest and most obvious indicator of the nature of a given chemical bond. However, for rare chemistry, it may happen that it is not yet firmly establishe…

physics.chem-ph2023

The resolution of the weak-exchange limit made rigorous, simple and general in binuclear complexes

Dumitru-Claudiu Sergentu, Boris Le Guennic, Rémi Maurice

The correct interpretation of magnetic properties in the weak-exchange regime has remained a challenging task for several decades. In this regime, the effective exchange interactio…

physics.chem-ph2023★ 5 cited

Excited states of polonium(IV): Electron correlation and spin-orbit coupling in the Po^{4+} free ion and in the bare and solvated [PoCl5]^- and [PoCl6]^{2-} complexes

Nadiya Zhutova, Florent Réal, Eric Renault +2

Polonium (Po, Z = 84) is a main-block element with poorly known physico-chemical properties. Not much information has been firmly acquired since its discovery by Marie and Pierre C…

physics.chem-ph2023★ 11 cited

Coordination and thermodynamic properties of aqueous protactinium(V) by first-principle calculations

Hanna Oher, Jeremy Delafoulhouze, Eric Renault +2

Protactinium ( = 91) is a very rare actinide with peculiar physico-chemical properties. Indeed, although one may naively think that it behaves similarly to either thorium or ura…

physics.chem-ph2022★ 4 cited

Geometries, interaction energies and bonding in [Po(HO)] and [PoCl] complexes

Nadiya Zhutova, Florent Réal, Valérie Vallet +1

Polonium (Z = 84) is one of the rarest elements on Earth. More than a century after its discovery, its chemistry remains poorly known and even basic questions are not yet satisfact…