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http://nopr.niscpr.res.in/handle/123456789/7594Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Keshavarz, M H | - |
| dc.contributor.author | Tehrani, M Kavosh | - |
| dc.contributor.author | Pouretedal, H R | - |
| dc.contributor.author | Semnani, A | - |
| dc.date.accessioned | 2010-03-08T10:36:09Z | - |
| dc.date.available | 2010-03-08T10:36:09Z | - |
| dc.date.issued | 2006-12 | - |
| dc.identifier.issn | 0975-1017 (Online); 0971-4588 (Print) | - |
| dc.identifier.uri | http://hdl.handle.net/123456789/7594 | - |
| dc.description | 542-548 | en_US |
| dc.description.abstract | A new theoretical approach is presented for calculation of gas phase heats of formation of non-aromatic energetic compounds. It is based on elemental composition and various functional groups of CaHbNcOd non-aromatic energetic compounds. Gas phase heats of formation for 85 non-aromatic energetic compounds are compared with experimental data as well as semi-empirical quantum mechanical PM3 prediction. Root mean square (rms) of deviation for some of them, where experimental data are available, shows 5.1 and 6.7 kcal/mol for new and semi-empirical quantum mechanical PM3 methods respectively. | en_US |
| dc.language.iso | en_US | en_US |
| dc.publisher | CSIR | en_US |
| dc.relation.ispartofseries | C07G | en_US |
| dc.source | IJEMS Vol.13(6) [December 2006] | en_US |
| dc.title | New pathway for quick estimation of gas phase heat of formation of non-aromatic energetic compounds | en_US |
| dc.type | Article | en_US |
| Appears in Collections: | IJEMS Vol.13(6) [December 2006] | |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJEMS 13(6) 542-548.pdf | 59.28 kB | Adobe PDF | View/Open |
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