| Literature DB >> 17311151 |
A Martín Pendás1, E Francisco, M A Blanco.
Abstract
Several key concepts of chemical bonding theory, such as electron pair sharing, polarity, charge transfer, multiple bonding, etc., are shown to be recovered from the statistical properties of multivariate electron number distribution functions. The latter are constructed from the real-space atomic partition provided by the quantum theory of atoms in molecules. We present the basic formalism and several exemplifying calculations.Mesh:
Year: 2007 PMID: 17311151 DOI: 10.1039/b616310f
Source DB: PubMed Journal: Phys Chem Chem Phys ISSN: 1463-9076 Impact factor: 3.676