Biofuel Combustion. Energetics and Kinetics of Hydrogen Abstraction from Carbon-1 inn-Butanol by the Hydroperoxyl Radical Calculated by Coupled Cluster and Density Functional Theories and Multistructural Variational Transition-State Theory with Multidimensional Tunneling
Author:
Affiliation:
1. Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp308460y
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1. Effect of Oxygenates on Water Uptake in Hydrocarbon Fuels
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4. Wallner, T.; Miers, S. A.; McConnell, S.A Comparison of Ethanol and Butanol as Oxygenates Using Direct-Injection, Spark-Ignition (DISI) Engine; ASME 2008 Internal Combustion Engine Division Spring Technical Conference, 2008, Chicago, Illinois.
5. An Experimental and Kinetic Modeling Study of the Oxidation of the Four Isomers of Butanol
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