A five-dimensional quantum scattering model for the type AB+XCD3⇌ABX+CD3 reaction in hyperspherical coordinates: Application to OH+CH4⇌H2O+CH3
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1342218
Reference68 articles.
1. Quantum theory of bimolecular chemical reactions
2. Development of Accurate Quantum Dynamical Methods for Tetraatomic Reactions
3. Fully quantal initial‐state‐selected reaction probabilities (J=0) for a four‐atom system: H2(v=0, 1, j=0)+OH(v=0,1, j=0)→H+H2O
4. Full‐dimensional quantum mechanical calculation of the rate constant for the H2+OH→H2O+H reaction
5. Quantum mechanical calculations of the rate constant for the H2+OH→H+H2O reaction: Full‐dimensional results and comparison to reduced dimensionality models
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1. Thermal Rate Coefficients and Kinetic Isotope Effects for the Reaction OH + CH4 → H2O + CH3 on an ab Initio-Based Potential Energy Surface;The Journal of Physical Chemistry A;2018-02-26
2. Understanding mode-specific dynamics in the local mode representation;Physical Chemistry Chemical Physics;2018
3. Recent advances in quantum scattering calculations on polyatomic bimolecular reactions;Chemical Society Reviews;2017
4. Mode specificity in the OH + CHD3 reaction: Reduced-dimensional quantum and quasi-classical studies on an ab initio based full-dimensional potential energy surface;The Journal of Chemical Physics;2016-04-27
5. Vibrational, rotational and translational effects on the OH(v, j) + CH4(v 1, v 2, v 3, v 4) dynamics reaction: a quasi-classical trajectory study;Theoretical Chemistry Accounts;2015-12-23
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