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http://umt-ir.umt.edu.my:8080/handle/123456789/5172| Title: | Theoretical Studies on the Synthetic Pathways of Monoallene |
| Authors: | Shafawati, S.M.T. |
| Keywords: | KuBulat, K. Inagaki, F. Mukai, C. Monoallene Total e lectronic energy Dipole moment Density functional theory |
| Issue Date: | 2016 |
| Publisher: | International Journal of Applied Chemistry |
| Abstract: | All the intermediates of the formation of 3-(3-hydroxyprop-1-ynyl)-5,5- dimethyl-2-(3-(phenylsulfonyl)penta-3 ,4-dienyl)cyclohex-2-enone were studied by DFT method. All the possible intermediates were optimized to the minimum potential energy using Gaussian 09 software package at the theoretical level of density functional theory (DFT) using B3LYP/6-31 G(d,p). |
| URI: | http://hdl.handle.net/123456789/5172 |
| ISSN: | 0973-1792 |
| Appears in Collections: | Journal Articles |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Theoretical studies on the synthetic pathways of monoallene.pdf | 2.25 MB | Adobe PDF | View/Open |
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