Atoms in molecules theory for exploring the crystal structure and bond nature of the MoS₂ bulk

DOI10.3233/JCM-2009-0301MaRDI QIDQ3013457zbMATH OpenWikidataFDO

Authors

Publication date 18 July 2011

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

Full work available at URL https://doi.org/10.3233/JCM-2009-0301

zbMATH Keywords

atoms-in-molecules theorydensity functional theoryhydrodesulfurizationmolybdenum sulfide

Mathematics Subject Classification ID

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

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