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Supplemental Number 1

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posted on 2024-06-26, 11:56 authored by Carina Peraça, Albert Bittencourt, Raquel Bezerra, Juarez L. F. Da Silva
The supplementary material file provides detailed computational details and clarifies the structural, energetic, and electronic parameters relevant to the adsorption properties of all systems assessed. It also contains thorough analyses of the UBI-QEP approximation and techniques for charge analysis.

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    Journal of Chemical Physics

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