An ab initio spin–orbit-corrected potential energy surface and dynamics for the F + CH4 and F + CHD3 reactions
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2011/CP/C0CP02456B
Reference27 articles.
1. An accurate multireference configuration interaction calculation of the potential energy surface for the F+H2→HF+H reaction
2. THE MARLOW MEDAL LECTURE The dynamics of the F+H2 reaction
3. Quantum mechanical and quasiclassical simulations of molecular beam experiments for the F+H2→HF+H reaction on two ab initio potential energy surfaces
4. Exact reaction dynamics by the hyperquantization algorithm: integral and differential cross sections for F + H2, including long-range and spin–orbit effects
5. Breakdown of the Born-Oppenheimer Approximation in the F+ o -D 2 → DF + D Reaction
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3. Quantum dynamics study of C—H stretching vibrational excitation in the F+CHD<sub>3</sub> → HF+CD<sub>3</sub> reaction;Acta Physica Sinica;2024
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