The FLiNaK-CeF3 molten mixture: A comprehensive structure examination by means of ab initio molecular dynamics
Dmitry Zakiryanov
Topics & Concepts
CeriumIonAb initioMolecular dynamicsFluorineChemistryAb initio quantum chemistry methodsDiffusionChemical physicsPhysical chemistryMaterials scienceThermodynamicsComputational chemistryInorganic chemistryMoleculePhysicsOrganic chemistryInorganic Fluorides and Related CompoundsMolten salt chemistry and electrochemical processesSolid-state spectroscopy and crystallography