| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383821 | Chemical Physics Letters | 2011 | 5 Pages |
Abstract
⺠We established two good linear relationships between pKa vs MEP by DFT methods. ⺠We used two models to predict the pKa values for 20 substituted benzoic acids. ⺠It has potential applications in estimating pKa of amino acids/macromolecules.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Ai-Guo Zhong, Hua-Jiang Jiang, Hua-Ding Liang,