"Predicting pKa Values of Substituted Phenols from Atomic ..."

Radka Svobodová Vareková et al. (2011)

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DOI: 10.1021/CI200133W

access: closed

type: Journal Article

metadata version: 2021-09-23

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  - https://dblp.org/rec/journals/jcisd/VarekovaGISKSBAHK11
Radka Svobodová Vareková, Stanislav Geidl, Crina-Maria Ionescu, Ondrej Skrehota, Michal Kudera, David Sehnal, Tomás Bouchal, Ruben Abagyan, Heinrich J. Huber, Jaroslav Koca:
Predicting pK_a Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes. J. Chem. Inf. Model. 51(8): 1795-1806 (2011)

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