Atoms in molecules theory for exploring the crystal structure and bond nature of the \(\mathrm{MoS}_2\) bulk (Q3013457)
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scientific article; zbMATH DE number 5925064
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| English | Atoms in molecules theory for exploring the crystal structure and bond nature of the \(\mathrm{MoS}_2\) bulk |
scientific article; zbMATH DE number 5925064 |
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Atoms in molecules theory for exploring the crystal structure and bond nature of the MoS2 bulk (English)
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18 July 2011
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molybdenum sulfide
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density functional theory
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hydrodesulfurization
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atoms-in-molecules theory
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0.6331382989883423
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0.5935778617858887
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0.5767937898635864
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0.5747918486595154
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