Accurate prediction of thermodynamic properties of alkyl peroxides by combining density functional theory calculation with least-square calibration
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.21122/fullpdf
Reference52 articles.
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3. Some Observations on the Thermochemistry and Kinetics of Peroxy Radicals
4. Evaluated kinetic and photochemical data for atmospheric chemistry: Volume II – gas phase reactions of organic species
5. Thermochemical Properties, Rotation Barriers, Bond Energies, and Group Additivity for Vinyl, Phenyl, Ethynyl, and Allyl Peroxides
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