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Rationalization of the p K a Values of Alcohols and Thiols Using Atomic Charge Descriptors and Its Application to the Prediction of Amino Acid p K a ’s

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https://hal.univ-lorraine.fr/hal-03004288
Contributor : Stephane Parant <>
Submitted on : Friday, November 13, 2020 - 3:40:26 PM
Last modification on : Saturday, November 14, 2020 - 3:22:50 AM

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Ilke Ugur, Antoine Marion, Stéphane Parant, Jan Jensen, Gerald Monard. Rationalization of the p K a Values of Alcohols and Thiols Using Atomic Charge Descriptors and Its Application to the Prediction of Amino Acid p K a ’s. Journal of Chemical Information and Modeling, American Chemical Society, 2014, 54 (8), pp.2200-2213. ⟨10.1021/ci500079w⟩. ⟨hal-03004288⟩

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