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Quantum and classical dynamics of water dissociation on Ni(111): A test of the site-averaging model in dissociative chemisorption of polyatomic molecules.
Jiang B, Guo H. Jiang B, et al. J Chem Phys. 2015 Oct 28;143(16):164705. doi: 10.1063/1.4934357. J Chem Phys. 2015. PMID: 26520541
Recently, we reported the first highly accurate nine-dimensional global potential energy surface (PES) for water interacting with a rigid Ni(111) surface, built on a large number of density functional theory points [B. Jiang and H. Guo, Phys. Rev. Lett. 114, 166101 …
Recently, we reported the first highly accurate nine-dimensional global potential energy surface (PES) for water interacting with a rigid Ni …
8,331 results