| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384821 | Chemical Physics Letters | 2010 | 7 Pages |
Abstract
⺠O-phosphoserine pKas can be reproduced theoretically at B3LYP/6-31+G(d,p) level. ⺠Inclusion of solvating water molecules is mandatory for accurate pKa prediction. ⺠O-phosphoserine zwitterion in aqueous solution is formed with low activation barrier.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Maciej Åmiechowski,