Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5394327 | Computational and Theoretical Chemistry | 2012 | 5 Pages |
Abstract
⺠A good correlation exists between literature relative pKa values and calculated pKa values. ⺠The average error was found to be less than 1.2 pKa unit. ⺠According to the NRT results, O-H bond in all studied compounds have an electrovalency character.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Somayyeh Kheirjou, Azardokht Abedin, Alireza Fattahi,