71 citations · 99 across the 6 of their papers we have counts for
7 papers
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…
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…
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…
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…
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…
Combinatorial Hopf algebra structure on packed square matrices
Hayat Cheballah, Samuele Giraudo, Rémi Maurice
We construct a new bigraded Hopf algebra whose bases are indexed by square matrices with entries in the alphabet , , without null rows or columns. This…
Magnetic state of pyrochlore Cd2Os2O7 emerging from strong competition of ligand distortions and longer-range crystalline anisotropy
Nikolay A. Bogdanov, Rémi Maurice, Ioannis Rousochatzakis +2
By many-body quantum-chemical calculations, we investigate the role of two structural effects - local ligand distortions and the anisotropic Cd-ion coordination - on the magnetic s…