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

72 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 - 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",

year = "1996",

doi = "10.1021/ja960021m",

language = "English (US)",

volume = "118",

pages = "4912--4913",

journal = "Journal of the American Chemical Society",

issn = "0002-7863",

publisher = "American Chemical Society",

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T1 - Hybrid QM/MM simulations yield the ground and excited state pK(a) difference

T2 - Phenol in aqueous solution

AU - Gao, J.

AU - Li, N.

AU - Freindorf, M.

PY - 1996

Y1 - 1996

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U2 - 10.1021/ja960021m

DO - 10.1021/ja960021m

M3 - Article

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VL - 118

SP - 4912

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JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 20

ER -

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

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