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Exploring the adsorption behavior of molecular hydrogen on CHA-zeolite by comparing the performance of various force field methods

Molecular hydrogen (H(2)) adsorption plays a crucial role in numerous applications, including hydrogen storage and purification processes. Understanding the interaction of H(2) with porous materials is essential for designing efficient adsorption systems. In this study, we investigate H(2) adsorptio...

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Detalles Bibliográficos
Autores principales: Aziz, Muhammad Tariq, Naqvi, Syed Ali Raza, Janjua, Muhammad Ramzan Saeed Ashraf, Alam, Manawwer, Gill, Waqas Amber
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10591995/
https://www.ncbi.nlm.nih.gov/pubmed/37876651
http://dx.doi.org/10.1039/d3ra04262f