Please use this identifier to cite or link to this item:
http://nopr.niscpr.res.in/handle/123456789/40256| Title: | Density functional study of fulminate anion-cyanate anion rearrangement |
| Authors: | Rani, Sunita Ray, N K |
| Issue Date: | Sep-1998 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | Density functional theory is used to study the rearrangement of fulminate anion to cyante anion. The reaction is predicted to be exothermic. It is shown that reaction proceeds via an oxazirinyl anion intermediate. Our calculated results are in excellent agreement with the results of more elaborate high level post-SCF studies. |
| Page(s): | 811-812 |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| Appears in Collections: | IJC-A Vol.37A(09) [September 1998] |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJCA 37A(9) 811-812.pdf | 54.15 kB | Adobe PDF | View/Open |
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