Relating atomic energy, radius and electronegativity through compression
Martin Rahm, Paul Erhart, Roberto Cammi
Abstract
Trends in atomic properties are well-established tools for guiding the analysis and discovery of materials. Here, we show how compression can reveal a long sought-after connection between two central chemical concepts - van-der-Waals (vdW) radii and electronegativity - and how these relate to the driving forces behind chemical and physical transformations.
Topics & Concepts
Electronegativityvan der Waals forceVan der Waals radiusConnection (principal bundle)Atomic radiusRADIUSCompression (physics)Van der Waals strainChemical physicsComputational chemistryThermodynamicsChemistryPhysicsAtomic physicsQuantum mechanicsMoleculeGeometryMathematicsComputer scienceComputer securityHistory and advancements in chemistryOrigins and Evolution of LifeCrystallography and molecular interactions