| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5393559 | Computational and Theoretical Chemistry | 2014 | 32 Pages |
Abstract
- Tautomerism of DAMO was studied using B3LYP/6-311++G(d,p) and M06-2X/6-311++G(d,p).
- Interconversion of the most stable tautomers to each other was also studied.
- Stretching frequencies of NH and OH bonds were also studied.
- NBO analysis for tautomers 1-5 has been done to obtain donor-acceptor interaction.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Abdol Reza Hajipour, Morteza Karimzadeh, Saman Jalilvand, Hossein Farrokhpour, Alireza Najafi Chermahini,