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
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Institution:	National University of Singapore

id	sg-nus-scholar.10635-88493
record_format	dspace
spelling	sg-nus-scholar.10635-884932023-10-25T23:24:22Z Ab initio group contribution method for activation energies of hydrogen abstraction reactions Saeys, M. Reyniers, M.-F. Van Speybroeck, V. Waroquier, M. Marin, G.B. CHEMICAL & BIOMOLECULAR ENGINEERING Ab initio calculations Abstraction reactions Hydrogen Radical reactions Thermodynamics 10.1002/cphc.200500206 ChemPhysChem 7 1 188-199 CPCHF 2014-10-09T06:42:56Z 2014-10-09T06:42:56Z 2006-01-16 Article Saeys, M., Reyniers, M.-F., Van Speybroeck, V., Waroquier, M., Marin, G.B. (2006-01-16). Ab initio group contribution method for activation energies of hydrogen abstraction reactions. ChemPhysChem 7 (1) : 188-199. ScholarBank@NUS Repository. https://doi.org/10.1002/cphc.200500206 14394235 http://scholarbank.nus.edu.sg/handle/10635/88493 000234790600026 Scopus
institution	National University of Singapore
building	NUS Library
continent	Asia
country	Singapore Singapore
content_provider	NUS Library
collection	ScholarBank@NUS
topic	Ab initio calculations Abstraction reactions Hydrogen Radical reactions Thermodynamics
spellingShingle	Ab initio calculations Abstraction reactions Hydrogen Radical reactions Thermodynamics Saeys, M. Reyniers, M.-F. Van Speybroeck, V. Waroquier, M. Marin, G.B. Ab initio group contribution method for activation energies of hydrogen abstraction reactions
description	10.1002/cphc.200500206
author2	CHEMICAL & BIOMOLECULAR ENGINEERING
author_facet	CHEMICAL & BIOMOLECULAR ENGINEERING Saeys, M. Reyniers, M.-F. Van Speybroeck, V. Waroquier, M. Marin, G.B.
format	Article
author	Saeys, M. Reyniers, M.-F. Van Speybroeck, V. Waroquier, M. Marin, G.B.
author_sort	Saeys, M.
title	Ab initio group contribution method for activation energies of hydrogen abstraction reactions
title_short	Ab initio group contribution method for activation energies of hydrogen abstraction reactions
title_full	Ab initio group contribution method for activation energies of hydrogen abstraction reactions
title_fullStr	Ab initio group contribution method for activation energies of hydrogen abstraction reactions
title_full_unstemmed	Ab initio group contribution method for activation energies of hydrogen abstraction reactions
title_sort	ab initio group contribution method for activation energies of hydrogen abstraction reactions
publishDate	2014
url	http://scholarbank.nus.edu.sg/handle/10635/88493
_version_	1781785146434781184

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

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