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Ab initio modeling of H2S dissociative chemisorption on Ag(100).
Phys Chem Chem Phys. 2022 Aug 10;24(31):18751-18763. doi: 10.1039/d1cp05612c.
Phys Chem Chem Phys. 2022.
PMID: 35900042
Diffusion under Confinement: Hydrodynamic Finite-Size Effects in Simulation.
Simonnin P, Noetinger BT, Nieto-Draghi C, Marry V, Rotenberg B.
Simonnin P, et al.
J Chem Theory Comput. 2017 Jun 13;13(6):2881-2889. doi: 10.1021/acs.jctc.7b00342. Epub 2017 Jun 5.
J Chem Theory Comput. 2017.
PMID: 28535342
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