Nuclear magnetic resonance predictions for graphenes: concentric finite models and extrapolation to large systems

Jarkko Vähäkangas, Suvi Ikäläinen, Perttu Lantto, Juha Vaara

    Research output: Contribution to journalArticleScientificpeer-review

    25 Citations (Scopus)
    Original languageEnglish
    Pages (from-to)4634-4641
    JournalPhysical Chemistry Chemical Physics
    Volume15
    Issue number13
    DOIs
    Publication statusPublished - 2013
    MoE publication typeA1 Journal article-refereed

    Keywords

    • CHEMICAL-SHIFT CALCULATIONS; SPIN COUPLING-CONSTANTS; DENSE BASIS-SETS; AB-INITIO; CARBON NANOSTRUCTURES; GRAPHITE OXIDE; NMR; TENSORS; APPROXIMATION; HYDROCARBONS

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