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Showing 1 to 5 of 5 for “"RRKM theory"”.
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Observation and Nature of Non-statistical Dynamic Effects in Ordinary Organic Reactions
Statistical models like Transition State Theory (TST) and Rice-Ramsperger-Kassel-Marcus (RRKM) Theory have generally been successful in predicting the rates and selectivities of chemical reactions. However, these statistical models can fail to explain experimental results of ordinary organic …
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Unimolecular decomposition kinetics at resolved internal energies.
… calculations is Rice- Ramsperger-Kassel-Marcus (RRKM) theory, which states that the rate constant for a unimolecular reaction is dependent on the way in which the internal energy is distributed to the various modes of motion of the molecule. The rate constant is then proportional to the ratio of …
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Photoionization Mass Spectrometry and Photoelectron-Photoion Coincidence (PEPICO) Spectroscopy Studies of Select Biofuel Molecules
… models, Rice-Ramsperger-Kassel-Marcus (RRKM) theory and the Simplified Statistical Adiabatic Channel Model (SSACM).</p>
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Modeling Peptide-binding Interactions and Polymer-binding Interactions and their Role in Mass Spectrometry
… After acquiring breakdown diagrams, RRKM modeling was used to fit the experimental data in order to obtain the 0 K activation energy and the entropy of activation. These thermodynamic data were then used to understand the competing dissociation channels observed (except for gas phase …
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Singlet Oxygen Oxidation of Guanine, 9-Methylguanine and Guanine-Cytosine Base Pair: Dynamics and Kinetics Revealed by Parallel Gas- and Solution-Phase Experiments and Computations
… calculations, Rice-Ramsperger-Kassel-Marcus (RRKM) theory and direct dynamics trajectory simulations, have provided insights into the <sup>1</sup>O<sub>2</sub> oxidation chemistry of guanine. Four projects have been completed, and each of which is described below.</p> <p>In the first project, …