Journal article
The Woodward–Hoffmann Rules Reinterpreted by Conceptual Density Functional Theory
Abstract
In an attempt to master the overwhelming amount of data on the properties of substances and their reactions, chemists scrutinize them for underlying common patterns. In modern times quantum mechanics (QM) has played a leading role in the understanding of chemical reactivity. In the late 1960s, Woodward and Hoffmann (WH) proposed one of the most successful and elegant approaches to interpret the outcome of an important type of reaction: they …
Authors
Geerlings P; Ayers PW; Toro-Labbé A; Chattaraj PK; De Proft F
Journal
Accounts of Chemical Research, Vol. 45, No. 5, pp. 683–695
Publisher
American Chemical Society (ACS)
Publication Date
May 15, 2012
DOI
10.1021/ar200192t
ISSN
0001-4842