The Degree of Rate Control: A Powerful Tool for Catalysis Research
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DOI: 10.1021/acscatal.7b00115
Abstract: The “degree of rate control” (DRC) is a mathematical approach for analyzing multistep reaction mechanisms that has proven very useful in catalysis research. It identifies the “rate-controlling transition states and intermediates” (i.e., those whose DRCs… read more here.
Keywords: rate control; catalysis; degree rate; rate ... See more keywords
Theoretical Calculations of the Multistep Reaction Mechanism Involved in Asparagine Pyrolysis Supported by Degree of Rate Control and Thermodynamic Control Analyses
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DOI: 10.3390/app9224847
Abstract: A computational study on the mechanisms of reaction for the pyrolysis of asparagine is presented. A density functional theory (DFT) study at the ωB97XD/6-311G(d,p) level was performed to analyze the differences in two reaction mechanisms:… read more here.
Keywords: rate control; pyrolysis; control; reaction ... See more keywords