Theoretical Study of X−H Bond Energetics (X = C, N, O, S): Application to Substituent Effects, Gas Phase Acidities, and Redox Potentials
- 27 February 1999
- journal article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 103 (11), 1653-1661
- https://doi.org/10.1021/jp984369a
Abstract
No abstract availableKeywords
This publication has 31 references indexed in Scilit:
- Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formationThe Journal of Chemical Physics, 1997
- Application of Photoacoustic Calorimetry to the Measurement of the O−H Bond Strength in Vitamin E (α- and δ-Tocopherol) and Related Phenolic Antioxidants1The Journal of Organic Chemistry, 1996
- Calculated Gas-Phase Acidities Using Density Functional Theory: Is It Reliable?The Journal of Physical Chemistry, 1996
- Three methods to measure RH bond energiesThe Journal of Physical Chemistry, 1994
- The Pecking Order of Free Radicals and Antioxidants: Lipid Peroxidation, α-Tocopherol, and AscorbateArchives of Biochemistry and Biophysics, 1993
- O–H bond strengths and one-electron reduction potentials of multisubstituted phenols and phenoxyl radicals. Predictions using free energy relationshipsJournal of the Chemical Society, Perkin Transactions 2, 1993
- A survey of Hammett substituent constants and resonance and field parametersChemical Reviews, 1991
- AM1 parameters for sulfurInorganic Chemistry, 1990
- Oxygen-hydrogen bond dissociation energies in para-substituted phenolsJournal of the American Chemical Society, 1988
- BioelectronicsScience, 1968