The barrier height of the F+H2 reaction revisited: Coupled-cluster and multireference configuration-interaction benchmark calculations
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2822905
Reference58 articles.
1. The potential energy surface for the F+H2 reaction as a function of bond angle in the saddle point vicinity
2. Full CI studies of the collinear transition state for the reaction F+H2→HF+H
3. Theoretical studies of the potential surface for the F+H2→HF+H reaction
4. The effect of higher than double excitations on the F+H2→FH+H barrier
5. Potential Energy Surface Including Electron Correlation for F + H 2 → FH + H: Refined Linear Surface
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