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Updated: Jul 22, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Reply to Comment on "Benchmarking Basis Sets for Density Functional Theory Thermochemistry Calculations: Why
Samuel J Pitman1, Alicia K Evans1, Robbie T Ireland1
1School of Chemistry, University of New South Wales, Sydney, NSW 2052, Australia.
No abstract available in PubMed .
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