A Computational Investigation of Hydrocarbon Cracking: Gas Phase and Heterogeneous Catalytic Reactions on Zeolites
For many years, researchers have been developing theoretical methods of estimating reaction rates and energetics when experimental measurements are not available. Recent advances have led to composite energy methods with near chemical accuracy. The performance of these new methods for predicting a...
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| Language: | EN |
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The University of Arizona.
2006
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| Online Access: | http://hdl.handle.net/10150/195305 |