Publication: 2003 Alfred Bader Award Lecture. Predicting the rates of chemical reactions.

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Title	2003 Alfred Bader Award Lecture. Predicting the rates of chemical reactions.
Authors/Editors*	Guthrie, J.P.
Where published*	Canadian Journal of Chemistry
How published*	Journal
Year*	2005
Volume	83
Number
Pages	1-8
Publisher
Keywords	Rate, Equilibrium, Thermodynamics, Kinetics, No Barrier Theory, Computational chemistry, Chemical reactivity
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Abstract	The dream of being able to predict the rate of a chemical reaction corresponding to a detailed mechanism is now almost within our grasp. No Barrier Theory, which makes the calculations relatively facile, is described, as are various applications of the approach to date. Illustrations are given of the use of No Barrier Theory not just as a quantitative tool for predicting rates, but as a qualitative tool for thinking about which of a pair of reactions will have the higher intrinsic barrier, and thus be slower for similar thermodynamic driving force.