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The DFT calculations of pKa values of the cationic acids of aniline and pyridine derivatives in common solvents Cover

The DFT calculations of pKa values of the cationic acids of aniline and pyridine derivatives in common solvents

Acta Chimica Slovaca
Volume 7 (2014): Issue 1 (April 2014)
By: Peter Poliak  
Open Access
|May 2014

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DOI: https://doi.org/10.2478/acs-2014-0005 | Journal eISSN: 1339-3065 | Journal ISSN: 1337-978X
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Language: English
Page range: 25 - 30
Published on: May 27, 2014
Published by: Slovak University of Technology in Bratislava
In partnership with: Paradigm Publishing Services
Publication frequency: 1 issue per year
Keywords:
pKa,
acid dissociation constant,
DFT,
B3LYP,
IEFPCM,
anilinium ion,
pyridinium ion
Related subjects:
Chemistry,
Chemistry, other

© 2014 Peter Poliak, published by Slovak University of Technology in Bratislava
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

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