Issue 2, 2001
From the journal:

Chemical Communications

On the calculation of bond energies from atomization energiesElectronic supplementary information (ESI) available: data for attempted fittings and exact and calculated atomisation energies for the final model. See http://www.rsc.org/suppdata/cc/b0/b007657k/

Siân T. Howard,*a   Michal K. Cyranskib  and  Leszek Z. Stolarczykb  

* Corresponding authors

a Department of Chemistry, Cardiff University, Cardiff, UK
E-mail: howardst@cf.ac.uk

b Department of Chemistry, University of Warsaw, ul. Pasteura 1, Warsaw, Poland

Abstract

It is possible (and occasionally preferable) to define bond energies of polyatomic molecules by dissociation of the molecule at a given bond into two radical fragments, e.g. for a tetra-atomic molecule ABCD.

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Supplementary files

Article information

DOI
https://doi.org/10.1039/B007657K
Article type
Communication
Submitted
20 Sep 2000
Accepted
13 Dec 2000
First published
08 Jan 2001

Chem. Commun., 2001, 197-198

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On the calculation of bond energies from atomization energies

S. T. Howard, M. K. Cyranski and L. Z. Stolarczyk, Chem. Commun., 2001, 197 DOI: 10.1039/B007657K

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