Accurate calculations of reaction rates: predictive theory based on a rigorous quantum transition state concept
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268976.2011.564594
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1. Quantum mechanical reactive scattering for three‐dimensional atom plus diatom systems. II. Accurate cross sections for H+H2
2. Full‐dimensional quantum mechanical calculation of the rate constant for the H2+OH→H2O+H reaction
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4. Full‐dimensional time‐dependent treatment for diatom–diatom reactions: The H2+OH reaction
5. Full dimensional quantum calculations of the CH[sub 4]+H→CH[sub 3]+H[sub 2] reaction rate
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