Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and Methanol

Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and Methanol

Bibliographic Details
Main Authors: Emanuele Rossini, Art D. Bochevarov, Ernst Walter Knapp
Format: Article
Language:English
Published: American Chemical Society 2018-02-01
Series:ACS Omega
Online Access:http://dx.doi.org/10.1021/acsomega.7b01895
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spelling doaj-4a60f9dc621d422c86990e8e83df187b2020-11-25T01:57:38ZengAmerican Chemical SocietyACS Omega2470-13432018-02-01321653166210.1021/acsomega.7b01895Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and MethanolEmanuele Rossini0Art D. Bochevarov1Ernst Walter Knapp2Freie Universität Berlin, Institute of Chemistry and Biochemistry, Berlin, GermanySchrödinger Inc, New York, New York, United StatesFreie Universität Berlin, Institute of Chemistry and Biochemistry, Berlin, Germanyhttp://dx.doi.org/10.1021/acsomega.7b01895
collection DOAJ
language English
format Article
sources DOAJ
author Emanuele Rossini
Art D. Bochevarov
Ernst Walter Knapp
spellingShingle Emanuele Rossini
Art D. Bochevarov
Ernst Walter Knapp
Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and Methanol
ACS Omega
author_facet Emanuele Rossini
Art D. Bochevarov
Ernst Walter Knapp
author_sort Emanuele Rossini
title Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and Methanol
title_short Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and Methanol
title_full Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and Methanol
title_fullStr Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and Methanol
title_full_unstemmed Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and Methanol
title_sort empirical conversion of pka values between different solvents and interpretation of the parameters: application to water, acetonitrile, dimethyl sulfoxide, and methanol
publisher American Chemical Society
series ACS Omega
issn 2470-1343
publishDate 2018-02-01
url http://dx.doi.org/10.1021/acsomega.7b01895
work_keys_str_mv AT emanuelerossini empiricalconversionofpkavaluesbetweendifferentsolventsandinterpretationoftheparametersapplicationtowateracetonitriledimethylsulfoxideandmethanol
AT artdbochevarov empiricalconversionofpkavaluesbetweendifferentsolventsandinterpretationoftheparametersapplicationtowateracetonitriledimethylsulfoxideandmethanol
AT ernstwalterknapp empiricalconversionofpkavaluesbetweendifferentsolventsandinterpretationoftheparametersapplicationtowateracetonitriledimethylsulfoxideandmethanol
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