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

J. Gao; N. Li; M. Freindorf

doi:10.1021/ja960021m

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

J. Gao, N. Li, M. Freindorf

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

70 Scopus citations

Original language	English (US)
Pages (from-to)	4912-4913
Number of pages	2
Journal	Journal of the American Chemical Society
Volume	118
Issue number	20
DOIs	https://doi.org/10.1021/ja960021m
State	Published - Jan 1 1996

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

author = "J. Gao and N. Li and M. Freindorf",

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

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