| Literature DB >> 24638229 |
Abstract
The recently introduced activation strain model (ASM) has allowed us to gain more insight into the intimacies of different fundamental processes in chemistry. In combination with the energy decomposition analysis (EDA) method, we have nowadays a very useful tool to quantitatively understand the physical factors that govern the activation barriers of reactions within organic and organometallic chemistry. In this Perspective article, we present selected illustrative examples of the application of this method to pericyclic reactions (Diels-Alder and double group transfer reactions) to show that this methodology nicely complements other more traditional, widely used theoretical methods.Year: 2014 PMID: 24638229 DOI: 10.1039/c4cp00346b
Source DB: PubMed Journal: Phys Chem Chem Phys ISSN: 1463-9076 Impact factor: 3.676