Ab Initio Group Contribution Method for Activation Energies for Radical Additions

Ab Initio Group Contribution Method for Activation Energies for Radical Additions

10.1002/aic.10038

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Bibliographic Details
Main Authors: Saeys, M., Reyniers, M.-F., Marin, G.B., Van Speybroeck, V., Waroquier, M.
Other Authors: CHEMICAL & BIOMOLECULAR ENGINEERING
Format: Article
Published: 2014
Subjects:
Ab initio calculations
Activation energies
Benson
CBS-QB3 method
Group additivity method
Steam cracking
Online Access:http://scholarbank.nus.edu.sg/handle/10635/63424
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Institution: National University of Singapore

Internet

http://scholarbank.nus.edu.sg/handle/10635/63424

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