A Quantum Dynamics Study of D2 + OH → DOH + D on the WSLFH Potential Energy Function
Author:
Affiliation:
1. Dipartemento di Chimica, Universita' di Siena, Via A. Moro, 53100 Siena, Italy
2. Chemistry Division, Argonne National Laboratory, Argonne, Illinois 60439
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp030190a
Reference35 articles.
1. The chemical kinetics and dynamics of the prototypical reaction: OH + H2 → H2O + H
2. Full‐dimensional quantum mechanical calculation of the rate constant for the H2+OH→H2O+H reaction
3. Full‐dimensional time‐dependent treatment for diatom–diatom reactions: The H2+OH reaction
4. 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
5. Rotational effects in the H2+OH→H+H2O reaction rate: Full-dimensional close-coupling results
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1. Vibrational and Rotational Gaussian Binning selections on QCT calculations for the OH + D2 → HOD((vHO’, vHOD’, vOD’), J’) + D reaction;Chemical Physics;2021-11
2. Fermi resonance controlled product branching in the H + HOD reaction;Physical Chemistry Chemical Physics;2018
3. State-to-state mode specificity in H + DOH(νOH = 1) → HD + OH(ν2 = 0) reaction: vibrational non-adiabaticity or local-mode excitation?;Physical Chemistry Chemical Physics;2018
4. Reaction rates and kinetic isotope effects of H2 + OH → H2O + H;The Journal of Chemical Physics;2016-05-07
5. The dynamics of the D2 + OH → HOD + D reaction: A combined theoretical and experimental study;Faraday Discussions;2012
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