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Ab initio group additivity model for the free radical reactions of nitrogen-containing compounds

Cato Pappijn (UGent) , Ruben Van de Vijver (UGent) , Marie-Françoise Reyniers (UGent) , Guy Marin (UGent) and Kevin Van Geem (UGent)
(2018)
Author
Organization
Abstract
Highlights  Kinetic models for gas-phase free radical chemistry  Data generated only using first principle approaches  Group additivity model for hydrogen abstractions and β-scissions of nitrogen-containing compounds
Keywords
Automatic kinetic model generation, group additivity, ab initio calculations, nitrogen

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Citation

Please use this url to cite or link to this publication:

MLA
Pappijn, Cato, Ruben Van de Vijver, Marie-Françoise Reyniers, et al. “Ab Initio Group Additivity Model for the Free Radical Reactions of Nitrogen-containing Compounds.” 2018. Print.
APA
Pappijn, C., Van de Vijver, R., Reyniers, M.-F., Marin, G., & Van Geem, K. (2018). Ab initio group additivity model for the free radical reactions of nitrogen-containing compounds. Presented at the 25th International Conference on Chemical Reaction Engineering (ISCRE 25).
Chicago author-date
Pappijn, Cato, Ruben Van de Vijver, Marie-Françoise Reyniers, Guy Marin, and Kevin Van Geem. 2018. “Ab Initio Group Additivity Model for the Free Radical Reactions of Nitrogen-containing Compounds.” In .
Chicago author-date (all authors)
Pappijn, Cato, Ruben Van de Vijver, Marie-Françoise Reyniers, Guy Marin, and Kevin Van Geem. 2018. “Ab Initio Group Additivity Model for the Free Radical Reactions of Nitrogen-containing Compounds.” In .
Vancouver
1.
Pappijn C, Van de Vijver R, Reyniers M-F, Marin G, Van Geem K. Ab initio group additivity model for the free radical reactions of nitrogen-containing compounds. 2018.
IEEE
[1]
C. Pappijn, R. Van de Vijver, M.-F. Reyniers, G. Marin, and K. Van Geem, “Ab initio group additivity model for the free radical reactions of nitrogen-containing compounds,” presented at the 25th International Conference on Chemical Reaction Engineering (ISCRE 25), Florence, Italy , 2018.
@inproceedings{8565027,
  abstract     = {Highlights
 Kinetic models for gas-phase free radical chemistry
 Data generated only using first principle approaches
 Group additivity model for hydrogen abstractions and β-scissions of nitrogen-containing
compounds
},
  author       = {Pappijn, Cato and Van de Vijver, Ruben and Reyniers, Marie-Françoise and Marin, Guy and Van Geem, Kevin},
  keywords     = {Automatic kinetic model generation,group additivity,ab initio calculations,nitrogen},
  location     = {Florence, Italy },
  title        = {Ab initio group additivity model for the free radical reactions of nitrogen-containing compounds},
  year         = {2018},
}