Ab Initio Group Contribution Method for Activation Energies for Radical Additions

• Main Authors: Saeys, M., Reyniers, M.-F., Marin, G.B., Van Speybroeck, V., Waroquier, M.
• 其他作者: CHEMICAL & BIOMOLECULAR ENGINEERING
• 格式: Article
• 出版: 2014
• 主題: Ab initio calculations; Activation energies; Benson; CBS-QB3 method; Group additivity method; Steam cracking
• 在線閱讀: http://scholarbank.nus.edu.sg/handle/10635/63424
• 機構: National University of Singapore

10.1002/aic.10038