Six-dimensional potential energy surfaces for the dissociative chemisorption of HCl on rigid Ag(100) and Ag(110) surfaces
Author:
Affiliation:
1. State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, People’s Republic of China
Funder
Foundation for Innovative Research Groups of the National Natural Science Foundation of China
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5122218
Reference78 articles.
1. Six-dimensional quantum dynamics of dissociative chemisorption of H2 on metal surfaces
2. Chemically Accurate Simulation of a Prototypical Surface Reaction: H 2 Dissociation on Cu(111)
3. Quantum and classical dynamics of reactive scattering of H2 from metal surfaces
4. Vibrationally Promoted Dissociation of Water on Ni(111)
5. Quantum dynamics of polyatomic dissociative chemisorption on transition metal surfaces: mode specificity and bond selectivity
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3. Effect of surface temperature on quantum dynamics of D2 on Cu(111) using a chemically accurate potential energy surface;The Journal of Chemical Physics;2022-11-21
4. Formulation of temperature dependent effective Hartree potential incorporating quadratic over linear molecular DOFs-surface modes couplings and its effect on quantum dynamics of D2 (v = 0, j = 0)/D2 (v = 0, j = 2) on Cu(111) metal surface;Chemical Physics;2022-01
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