Optimization of Enaminone Structures and Investigation of Substituent Effects on Molecular Stability Using HF and DFT Soft Computational Methods
Enaminones are chemical compounds consisting of an amino group (−N=) linked through a C=C to a C=O group. In this research, four various enaminone structures were theoretically optimized. These enaminone structures have been studied for substituent effect on hydrogen bond, method and basic set effec...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Iranian Chemical Science and Technologies Association
2018-04-01
|
| Series: | International Journal of New Chemistry |
| Subjects: | |
| Online Access: | http://www.ijnc.ir/article_32806_c676ba9175c2a864c7f3ea6c49f4c4ac.pdf |