Search Results - "DFTB"

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    A comparative study of density functional and density functional tight binding calculations of defects in graphene

    A comparative study of density functional and density functional tight binding calculations of defects in graphene by Zobelli, A., Ivanovskaya, V., Wagner, P., Suarez-Martinez, Irene, Yaya, A., Ewels, C.

    Published 2012
    Subjects: “…DFTB…”
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