Ontology highlight
ABSTRACT:
SUBMITTER: Levine DS
PROVIDER: S-EPMC7524788 | biostudies-literature | 2020 Sep
REPOSITORIES: biostudies-literature
Levine Daniel S DS Head-Gordon Martin M
Nature communications 20200929 1
Lowering of the electron kinetic energy (KE) upon initial encounter of radical fragments has long been cited as the primary origin of the covalent chemical bond based on Ruedenberg's pioneering analysis of H[Formula: see text] and H<sub>2</sub> and presumed generalization to other bonds. This work reports KE changes during the initial encounter corresponding to bond formation for a range of different bonds; the results demand a re-evaluation of the role of the KE. Bonds between heavier elements, ...[more]