Ab initio group contribution method for activation energies of hydrogen abstraction reactions

Ab initio group contribution method for activation energies of hydrogen abstraction reactions

10.1002/cphc.200500206

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Bibliographic Details
Main Authors:	Saeys, M., Reyniers, M.-F., Van Speybroeck, V., Waroquier, M., Marin, G.B.
Other Authors:	CHEMICAL & BIOMOLECULAR ENGINEERING
Format:	Article
Published:	2014
Subjects:	Ab initio calculations Abstraction reactions Hydrogen Radical reactions Thermodynamics
Online Access:	http://scholarbank.nus.edu.sg/handle/10635/88493
Tags:	Add Tag No Tags, Be the first to tag this record!
Institution:	National University of Singapore

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