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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Gutman, Ivan | - |
| dc.contributor.author | Tošović, Jelena | - |
| dc.contributor.author | Radenković, Slavko | - |
| dc.contributor.author | Marković, Svetlana | - |
| dc.date.accessioned | 2012-05-03T10:00:05Z | - |
| dc.date.available | 2012-05-03T10:00:05Z | - |
| dc.date.issued | 2012-05 | - |
| dc.identifier.issn | 0975-0975(Online); 0376-4710(Print) | - |
| dc.identifier.uri | http://hdl.handle.net/123456789/14059 | - |
| dc.description | 690-694 | en_US |
| dc.description.abstract | A critical re-examination confirms that the atom-bond
connectivity index (ABC) is well reproducing the heats of
formation of alkanes ( H°f). Moreover, the simple empirical
formula
H°f = – (a+b·ABC), with a = 65.98, b = 20.37, reproduces the heats of formation with an accuracy comparable to
that of high-level ab initio and DFT (MP2, B3LYP) quantum
chemical calculations. | 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.51A(05) [May 2012] | en_US |
| dc.subject | Theoretical chemistry | en_US |
| dc.subject | Atom-bond connectivity index | en_US |
| dc.subject | Heat of formation | en_US |
| dc.subject | Alkanes | en_US |
| dc.title | On atom-bond connectivity index and its chemical applicability | en_US |
| dc.type | Article | en_US |
| Appears in Collections: | IJC-A Vol.51A(05) [May 2012] | |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJCA 51A(5) 690-694.pdf | 316.62 kB | Adobe PDF | View/Open |
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