QUASI: a general purpose implementation of the QM/MM approach and its application to problems in catalysis

P Sherwood, AH de Vries, MF Guest, G Schreckenbach, CRA Catlow, S.A. French, AA Sokol, ST Bromley, W Thiel, AJ Turner, S Billeter, F Terstegen, S Thiel, J Kendrick, SC Rogers, J Casci, M Watson, F King, E Karlsen, M SjovollA Fahmi, A Schafer, C Lennartz

    Research output: Contribution to journalArticleScientificpeer-review

    756 Citations (Scopus)
    Original languageUndefined/Unknown
    Pages (from-to)1-28
    Number of pages28
    JournalComputational and Theoretical Chemistry
    Publication statusPublished - 2003


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