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New potential energy surface features for the Li + HF LiF + H reaction.
Fan Q, Li H, Feng H, Sun W, Lu T, Simmonett AC, Xie Y, Schaefer HF 3rd. Fan Q, et al. Among authors: li h. J Phys Chem A. 2013 Oct 3;117(39):10027-33. doi: 10.1021/jp400541a. Epub 2013 May 1. J Phys Chem A. 2013. PMID: 23586416
The existing potential energy surfaces for the Li + HF system have been challenged by the experiments of Loesch, Stienkemeier, and co-workers. ...The reaction has a classical endothermicity of 2.6 kcal mol(-1). The complex Li...HF in the entrance valley lies 6.1 kca …
The existing potential energy surfaces for the Li + HF system have been challenged by the experiments of Loesch, Stienkemeier, and co …
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