Ontology highlight
ABSTRACT:
SUBMITTER: Domingo LR
PROVIDER: S-EPMC6273663 | biostudies-other | 2016 Sep
REPOSITORIES: biostudies-other
Molecules (Basel, Switzerland) 20160930 10
A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT), is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical molecular properties, as proposed by the Density Functional Theory (DFT), the capability for changes in electron density is responsible for molecular reactivity. Within MEDT, the reactivity in Organic Chemistry is studied through a r ...[more]