Hybrid QM/MM Embedding Approach for the Treatment of Localized Surface States in Ionic Materials

AA Sokol, ST Bromley, S.A. French, CRA Catlow, P Sherwood

    Research output: Contribution to journalArticleScientificpeer-review

    75 Citations (Scopus)
    Original languageUndefined/Unknown
    Pages (from-to)695-712
    Number of pages18
    JournalInternational Journal of Quantum Chemistry
    Volume99
    Publication statusPublished - 2004

    Keywords

    • academic journal papers
    • ZX CWTS JFIS < 1.00

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