Computing a Three-Dimensional Electronic Energy Manifold for the LiH + H ⇌ Li + H2 Chemical Reaction
Author:
Affiliation:
1. Department of Chemistry and CNISM, University of Rome “la Sapienza”, Ple A. Moro 5, 00185 Rome, Italy
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp809163g
Reference42 articles.
1. A new functional form to obtain analytical potentials of triatomic molecules
2. Analytical potential energy surface and quasi-classical dynamics for the reaction LiH(X,1Σ+)+H(2S)→Li(2S)+H2(X,1Σ+g)
3. Classical and quantum dynamics on the collinear potential energy surface for the reaction of Li with H2
4. Potential Energy Surfaces for LiH2 and Photochemical Reactions Li*+ H2 ↔ LiH + H
5. Computed orientational anisotropy and vibrational couplings for the LiH + H interaction potential
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