| Literature DB >> 12465984 |
Paula Mori-Sánchez1, A Martín Pendás, Víctor Luaña.
Abstract
The electron density of crystals contains all of the information required to complete a classification of their bonding types. We propose here a set of three different indexes, flatness, charge transfer, and molecularity, easily obtained from the experimental or theoretical electron density, which give rise to a classification in close resemblance to the classical van Arkel-Ketelaar diagrams.Entities:
Year: 2002 PMID: 12465984 DOI: 10.1021/ja027708t
Source DB: PubMed Journal: J Am Chem Soc ISSN: 0002-7863 Impact factor: 15.419