Using inherent radical stabilization energies to predict unknown enthalpies of formation and associated bond dissociation energies of complex molecules

Author:

Coote Michelle L.,Zavitsas Andreas A.

Funder

Australian Research Council

Publisher

Elsevier BV

Subject

Organic Chemistry,Drug Discovery,Biochemistry

Reference43 articles.

1. Afeefy, H. Y.; Liebman, J. F.; Stein, S. E. Neutral Thermochemical Data in NIST Chemistry WebBook, NIST Standard Reference Database Number 69, Linstrom, P. J.; Mallard, W. G. Eds., National Institute of Standards and Technology, Gaithersburg MD, 20899. URL: http://webbook.nist.gov/ (retrieved November 22, 2015).

2. A comparison of methods for measuring relative radical stabilities of carbon-centred radicals

3. Inherent and transferable stabilization energies of carbon- and heteroatom-centred radicals on the same relative scale and their applications

4. G3-RAD and G3X-RAD: Modified Gaussian-3 (G3) and Gaussian-3X (G3X) procedures for radical thermochemistry

5. Bond Dissociation Energies and Radical Stabilization Energies Associated with Substituted Methyl Radicals

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