How do Water Solvent and Glutathione Ligands Affect the Structure and Electronic Properties of Au25(SR)18-?

Víctor Rojas-Cervellera, Carme Rovira, Jaakko Akola

    Research output: Contribution to journalArticleScientificpeer-review

    26 Citations (Scopus)

    Abstract


    Original languageEnglish
    Pages (from-to)3859-3865
    Number of pages7
    JournalJournal of Physical Chemistry Letters
    Volume6
    Issue number19
    DOIs
    Publication statusPublished - 1 Oct 2015
    Publication typeA1 Journal article-refereed

    Keywords

    • Car-Parrinello molecular dynamics
    • density functional theory
    • HOMO-LUMO gap
    • quantum mechanics/molecular mechanics
    • thiolate monolayer-protected gold clusters

    Publication forum classification

    • Publication forum level 2

    ASJC Scopus subject areas

    • General Materials Science

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