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http://nopr.niscpr.res.in/handle/123456789/40256Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Rani, Sunita | - |
| dc.contributor.author | Ray, N K | - |
| dc.date.accessioned | 2017-02-08T10:16:54Z | - |
| dc.date.available | 2017-02-08T10:16:54Z | - |
| dc.date.issued | 1998-09 | - |
| dc.identifier.issn | 0975-0975(Online); 0376-4710(Print) | - |
| dc.identifier.uri | http://nopr.niscair.res.in/handle/123456789/40256 | - |
| dc.description | 811-812 | en_US |
| dc.description.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. | en_US |
| dc.language.iso | en_US | en_US |
| dc.publisher | NISCAIR-CSIR, India | en_US |
| dc.rights |  CC Attribution-Noncommercial-No Derivative Works 2.5 India | en_US |
| dc.source | IJC-A Vol.37A(09) [September 1998] | en_US |
| dc.title | Density functional study of fulminate anion-cyanate anion rearrangement | en_US |
| dc.type | Article | en_US |
| 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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