Transition state theory fails for some reactions at high temperature.
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Transition state theory is also based on the assumption that atomic nuclei behave according to classic mechanics.
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"' Transition state theory "'( TST ) explains the reaction rates of elementary chemical reactions.
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He has special interests in the dynamics of chemical reactions, transition state theory and non-equilibrium stochastic dynamics.
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This deviation from transition state theory is observed even in the simple exchange reaction between diatomic hydrogen and a hydrogen radical.
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In order to model events that take place on much longer timescales, Eon combines transition state theory with Monte Carlo.
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Back in Manchester, Evans became one of Michael Polanyi's principal coworkers on the development of the transition state theory.
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A development of transition state theory in which the dividing surface is varied so as to minimize the rate calculated for a fixed energy.
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The "'Aromatic transition state theory "'assumes that the minimum energy transition state for a pericyclic process must be aromatic.
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Having mapped the landscape, and making certain assumptions, Transition state theory can then be used yield a description of the probabilities of paths within it.
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