Loading...
Please wait, while we are loading the content...
Similar Documents
Interaction Interaction of Trans-Retinol and 1,1-Diamino-2,2-Dinitroethylene (FOX-7)- A DFT Treatment
| Content Provider | Directory of Open Access Journals (DOAJ) |
|---|---|
| Author | Lemi Türker |
| Abstract | trans-Retinol is a highly conjugated molecule whose oxidized form trans-retinal has prime importance in the metabolism of vision. On the other hand, 1,1-diamino-2,2-dinitroethylene (FOX-7) is a pull-push type insensitive explosive material. The present study considers the interaction between trans-retinol and FOX-7 molecules at the level of B3LYP/6-31+G(d). Some structural, quantum chemical and spectral properties are obtained for the trans-retinol and FOX-7 composite. The calculations indicate that the mode of interaction in the composites of trans-retinol and FOX-7 in one hand and trans-retinal and FOX-7, on the other hand, is different. In the case of trans-retinol, possibly some orbital interactions happen with FOX-7 additionally. |
| Related Links | https://purkh.com/index.php/tochem/article/view/430 |
| e-ISSN | 25817507 |
| Journal | To Chemistry Journal |
| Volume Number | 3 |
| Language | English |
| Publisher | PURKH |
| Publisher Place | India |
| Access Restriction | Open |
| Subject Keyword | Chemistry Retinol Vitamin A Fox-7 Dadne Explosive Dft |
| Content Type | Text |
| Resource Type | Article |