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First-principles study of the nature of small nickel sulfide particles - MaRDI portal

First-principles study of the nature of small nickel sulfide particles

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Publication:3013458

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DOI10.3233/JCM-2009-0305zbMath1228.82082WikidataQ127985005 ScholiaQ127985005MaRDI QIDQ3013458

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Publication date: 18 July 2011

Published in: Journal of Computational Methods in Sciences and Engineering (Search for Journal in Brave)

zbMATH Keywords

density functional theory electrostatic potential atoms-in-molecules hydrodesulfurization first-principles atomic thermodynamic nickel sulfide particles

Mathematics Subject Classification ID

Atomic physics (81V45) Statistical mechanics of solids (82D20) Molecular physics (81V55)

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