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Updated: Jul 26, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
XXII International Symposium on Homogeneous Catalysis
Armando J L Pombeiro1, Kamran T Mahmudov1,2
1Centro de Química Estrutural, Institute of Molecular Sciences, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001, Lisbon, Portugal.
Abstract:
This special collection of reviews, minireviews, full papers and communications at Chemistry Europe journals (Chem. Eur. J., ChemCatChem, ChemSusChem, Eur. J. Org. Chem., Eur. J. Inorg. Chem., ChemistryOpen and ChemPhotoChem) is inspired by (and dedicated to) the XXII ISHC, which was held in-presence in Lisbon in 2022.
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