Hybrid QM/MM simulations yield the ground and excited state pK(a) difference: Phenol in aqueous solution

J. Gao, N. Li, M. Freindorf

Research output: Contribution to journalArticlepeer-review

67 Scopus citations
Original languageEnglish (US)
Pages (from-to)4912-4913
Number of pages2
JournalJournal of the American Chemical Society
Volume118
Issue number20
DOIs
StatePublished - Jan 1 1996

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