V. Vallet

activity

20162023

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

11 citations · 43 across the 8 of their papers we have counts for

collaborators

Showing 2022 · physics.chem-phShow all

2 papers · 2 filters

physics.chem-ph2022★ 4 cited

Geometries, interaction energies and bonding in [Po(H $_{2}$ O) $_{n}$ ] $^{4 +}$ and [PoCl $_{n}$ ] $^{4 - n}$ 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…

physics.chem-ph2022★ 11 cited

Frozen-Density Embedding for including environmental effects in the Dirac-Kohn-Sham theory: an implementation based on density fitting and prototyping techniques

Matteo De Santis, Diego Sorbelli, Valerie Vallet +3

The Frozen Density Embedding scheme represents an embedding method in which environmental effects onto a given subsystem are included by representing the other subsystems making up…

Geometries, interaction energies and bonding in [Po(H2​O)n​]4+ and [PoCln​]4−n complexes

Frozen-Density Embedding for including environmental effects in the Dirac-Kohn-Sham theory: an implementation based on density fitting and prototyping techniques

Geometries, interaction energies and bonding in [Po(H $_{2}$ O) $_{n}$ ] $^{4 +}$ and [PoCl $_{n}$ ] $^{4 - n}$ complexes