Proton Adsorption on Single-Atom Catalysts: Insights from Electrostatic Interaction Decomposition

VU Yoda 2026 Dataset Open access

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Authors: Angelina N. van Dam, Pascal Vermeeren
DOI: 10.48338/vu01-zc4xf4
Cited by: 1

Abstract

This dataset contains the Cartesian coordinates of the periodic (BAND) and molecular (ADF) systems computed at ZORA-UPBE-D3(BJ)/TZP for the manuscript "Proton Adsorption on Single-Atom Catalysts: Insights from Electrostatic Interaction Decomposition".

Publication details

Journal / source
VU Yoda
Publication date
17 February 2026
Language
EN
Document type
Dataset