Study of gas-phase O–H bond dissociation enthalpies and ionization potentials of substituted phenols – Applicability of ab initio and DFT/B3LYP methods-Reference-Cited by-同舟云学术

Study of gas-phase O–H bond dissociation enthalpies and ionization potentials of substituted phenols – Applicability of ab initio and DFT/B3LYP methods

Published:2006-11 Issue:3 Volume:330 Page:515-525
ISSN:0301-0104
Container-title:Chemical Physics
language:en
Short-container-title:Chemical Physics

Author:

Klein Erik,Lukeš Vladimír

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference55 articles.

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2. Bond dissociation energies of antioxidants

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4. A new semiempirical method of estimation of activity and bond dissociation energies of antioxidants

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