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An ab initio study of ethane conversion reactions on zeolites using the complete basis set composite energy method

✍ Scribed by Xiaobo Zheng; Paul Blowers


Book ID
108211443
Publisher
Elsevier Science
Year
2005
Tongue
English
Weight
297 KB
Volume
229
Category
Article
ISSN
1381-1169

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The potential energy surface for the reaction involving NH plus NO 2 was explored with a quadratic complete basis set ab initio approach and three hybrid density functional theory methods, the target being to accurately estimate activation barriers and the relative stability of the nitrogen᎐oxygen i