Quantum Functional Sensitivity Analysis of the D + H2 Reaction Rate Coefficient via the Separable Rotation Approximation
Author:
Affiliation:
1. Energy and Environment Division, Ernest Orlando Lawrence Berkeley National Laboratory, University of California, Berkeley, California 94720
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,General Engineering
Link
https://pubs.acs.org/doi/pdf/10.1021/jp9618690
Reference44 articles.
1. Accurate quantum thermal rate constants for the three‐dimensional H+H2 reaction
2. Quantum reactive scattering via the S‐matrix version of the Kohn variational principle: Differential and integral cross sections for D+H2 →HD+H
3. Efficient polynomial expansion of the scattering Green’s function: Application to the D+H2(v=1) rate constant
4. Ab Initio Chemical Kinetics: Converged Quantal Reaction Rate Constants for the D + H2 System
5. Theoretical and Experimental Rate Constants for Two Isotopic Modifications of the Reaction H + H 2
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3. Experimental and quantum mechanical study of the H+D2 reaction near 0.5 eV: The assessment of the H3 potential energy surfaces;The Journal of Chemical Physics;1998-04-15
4. Quantum mechanical rate constants for the D + H2 → HD + H reaction on the BKMP2 potential energy surface;Chemical Physics Letters;1997-10
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