Combined QM/MM molecular dynamics study on a condensed-phase S(N)2 reaction at nitrogen: The effect of explicitly including solvent polarization

Daan P. Geerke, Stephan Thiel, Walter Thiel, Wilfred F van Gunsteren

Research output: Contribution to JournalArticleAcademicpeer-review

Original languageEnglish
Pages (from-to)1499-1509
JournalJournal of Chemical Theory and Computation
Issue number4
Publication statusPublished - 2007

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