Exact state-to-state quantum dynamics of the F+HD→HF(v′=2)+D reaction on model potential energy surfaces
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2964103
Reference43 articles.
1. Quantum mechanical angular distributions for the F+HD reaction
2. Molecular beam studies of the F+D2 and F+HD reactions
3. First-principles study of ferroelectric and nonlinear optical property in bismuth titanate
4. Reaction dynamics of F+HD→HF+D at low energies: Resonant tunneling mechanism
5. Reactive scattering of F+HD→HF(v,J)+D: HF(v,J) nascent product state distributions and evidence for quantum transition state resonances
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1. Renormalized chemical kinetics and benchmark quantum mechanical rates: activation energies and tunnelling transitivities for the reactions of fluorine atoms with H2 and HD;Rendiconti Lincei. Scienze Fisiche e Naturali;2023-12
2. Quantum dynamics studies of isotope effects in the Mg+(3p) + HD → MgH+/MgD+ + D/H insertion reaction;Scientific Reports;2020-02-25
3. Benchmark Quantum Kinetics at Low Temperatures toward Absolute Zero and Role of Entrance Channel Wells on Tunneling, Virtual States, and Resonances: The F + HD Reaction;The Journal of Physical Chemistry A;2019-12-12
4. Benchmark Quantum Mechanical Calculations of Vibrationally Resolved Cross Sections and Rate Constants on ab Initio Potential Energy Surfaces for the F + HD Reaction: Comparisons with Experiments;The Journal of Physical Chemistry A;2016-05-26
5. Quasi-Classical Trajectory Study of Atom–Diatomic Molecule Collisions in Symmetric Hyperspherical Coordinates: The F + HCl Reaction as a Test Case;The Journal of Physical Chemistry A;2016-03-29
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