Theoretical calculations of the relative pKa values of some selected aromatic arsonic acids in water using density functional theory
With the focus on calculating the equilibrium constant (Ka) of arsonic acids (RAsO(OH)2) in aqueous media, the behavior of both neutral and negatively charged species of some arsonic acids have been considered through the isodesmic reaction scheme with polarized continuum model of solvation. The rel...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Growing Science
2016-01-01
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| Series: | Current Chemistry Letters |
| Subjects: | |
| Online Access: | http://www.growingscience.com/ccl/Vol5/ccl_2015_20.pdf |