Theoretical rate constants and kinetic isotope effects in the reaction of methane with H, D, T, and Mu atoms
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2008/CP/B714489J
Reference38 articles.
1. Computational Chemistry of Polyatomic Reaction Kinetics and Dynamics: The Quest for an Accurate CH5 Potential Energy Surface
2. The thermal reaction rate of muonium with methane (and ethane) in the gas phase
3. New analytical potential energy surface for the CH4+H hydrogen abstraction reaction: Thermal rate constants and kinetic isotope effects
4. Evaluated Kinetic Data for Combustion Modelling
5. Rate constants for H + CH4, CH3 + H2, and CH4 dissociation at high temperature
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1. Large Anharmonic Effects on Tunneling and Kinetics: Reaction of Propane with Muonium;The Journal of Physical Chemistry Letters;2021-04-23
2. Calculations of quantum tunnelling rates for muonium reactions with methane, ethane and propane;Physical Chemistry Chemical Physics;2020
3. How intrinsic nuclear nonadiabaticity affects molecular structure, electronic density, and conformational stability: Insights from the multicomponent DFT calculations of Mu/H isotopologues;International Journal of Quantum Chemistry;2018-07-20
4. Rate constants of chemical reactions from semiclassical transition state theory in full and one dimension;The Journal of Chemical Physics;2016-06-28
5. Muon-Substituted Malonaldehyde: Transforming a Transition State into a Stable Structure by Isotope Substitution;Chemistry - A European Journal;2016-01-08
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