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Chemical Engineering Communications Volume 190, 2003 - Issue 9
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Original Articles

Assessment of the suitability of using the composite G2, G3, and CBS-RAD methods for predicting activation energies

Paul Blowers Department of Chemical and Environmental Engineering, University of Arizona, Tucson, Arizona, USA
,
Xiaobo Zheng Department of Chemical and Environmental Engineering, University of Arizona, Tucson, Arizona, USA
&
Kim Homan Department of Chemical and Environmental Engineering, University of Arizona, Tucson, Arizona, USA
Pages 1233-1248 | Published online: 09 Sep 2010

Citations (5)

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Read on this site (1)

X. Zheng & P. Blowers. (2005) The investigation of hydrocarbon cracking reaction energetics with composite energy methods. Molecular Simulation 31:14-15, pages 979-986.
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Articles from other publishers (4)

Paul Blowers & Kyle Hollingshead. (2009) Estimations of Global Warming Potentials from Computational Chemistry Calculations for CH 2 F 2 and Other Fluorinated Methyl Species Verified by Comparison to Experiment . The Journal of Physical Chemistry A 113:20, pages 5942-5950.
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Thomas V. Grimes, Angela K. Wilson, Nathan J. DeYonker & Thomas R. Cundari. (2007) Performance of the correlation consistent composite approach for transition states: A comparison to G3B theory. The Journal of Chemical Physics 127:15.
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Xiaobo Zheng & Paul Blowers. (2006) Kinetic modeling of tert -butyl radical decomposition reaction . AIChE Journal 52:9, pages 3216-3221.
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Nianliu Zhang, Paul Blowers & James Farrell. (2004) Ab Initio Study of Carbon−Chlorine Bond Cleavage in Carbon Tetrachloride. Environmental Science & Technology 39:2, pages 612-617.
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