Theoretical modeling of pKa's of thiol compounds in aqueous solution
Author:
Affiliation:
1. College of Chemistry and Chemical Engineering
2. Shanghai University of Engineering Science
3. Shanghai 201620
4. China
Abstract
The pKa's of different kinds of thiols (R-SH) were investigated by using the M06-2X method with a SMDsSAS model.
Funder
Shanghai University of Engineering and Science
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry,Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2019/NJ/C8NJ06259E
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