title: Atomic volume as a descriptor for carbon electronic structure and stability.
abstract: Electron density at the carbon atom is a significant factor determining the stability of molecules, but it is difficult to quantify. Using the Atoms in Molecules (AIM) quantum theory, we calculated the atomic charges and volumes of carbon atoms in highly oxidized compounds. The two parameters are shown to be good quantitative descriptors of electron depletion and can be used as an indicator for stability/reactivity of such compounds.
authors.affiliation: National Institute of Chemistry, Hajdrihova 19, 1000 Ljubljana, Slovenia. andrej.krzan@ki.si
authors.forename: Andrej
authors.initials: A
authors.lastname: Kržan
authors.forename: Janez
authors.initials: J
authors.lastname: Mavri